Chemical ID: 7108616

Cc1ccccc1CNC(C)(C)CC(C)(C)C
Chemical ID:
7108616
Name [?]:
2,4,4-trimethyl-N-(o-tolylmethyl)pentan-2-amine
SMILES [?]:
Cc1ccccc1CNC(C)(C)CC(C)(C)C
InChi [?]:
InChI=1/C16H27N/c1-13-9-7-8-10-14(13)11-17-16(5,6)12-15(2,3)4/h7-10,17H,11-12H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,15,16,17,11,12,4,5,3,6,8,13,2,7,14,10,9/E:(2,3,4)(5,6)/rA:17nCCCCCCCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s10;s10;s13;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H27N
All Atoms:44
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.59684
Area:420.848
Solvation:-0.924366
Coulombic:-11.7135
Bond Count [?]
All:17
Single:14
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:233.392
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.31
LogP (Chemaxon):4.5

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Descriptor Annotations

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