Chemical ID: 4272072

CC(C)(C)NCC(COCCC12CC3CC(C1)CC(C3)C2)O
Chemical ID:
4272072
Name [?]:
1-[2-(1-adamantyl)ethoxy]-3-tert-butylamino-propan-2-ol
SMILES [?]:
CC(C)(C)NCC(COCCC12CC3CC(C1)CC(C3)C2)O
InChi [?]:
InChI=1/C19H35NO2/c1-18(2,3)20-12-17(21)13-22-5-4-19-9-14-6-15(10-19)8-16(7-14)11-19/h14-17,20-21H,4-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,11,10,15,18,20,17,13,21,6,8,16,14,19,7,2,12,5,22,9/E:(1,2,3)(6,7,8)(9,10,11)(14,15,16)/rA:22cCCCCNCCCOCCCCCCCCCCCCO/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s16;s18;s14s19;s12s19;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H35NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.02423
Area:531.768
Solvation:-4.26997
Coulombic:-33.9802
Bond Count [?]
All:24
Single:24
Double:0
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:309.487
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.94
LogP (Chemaxon):2.73

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Descriptor Annotations

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