Chemical ID: 6049454

CC(C)(C)OC(=O)NCC1CCNC1
Chemical ID:
6049454
Name [?]:
tert-butyl pyrrolidin-3-ylmethylaminoformate
SMILES [?]:
CC(C)(C)OC(=O)NCC1CCNC1
InChi [?]:
InChI=1/C10H20N2O2/c1-10(2,3)14-9(13)12-7-8-4-5-11-6-8/h8,11H,4-7H2,1-3H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,4,11,12,14,9,10,6,2,13,8,7,5/E:(1,2,3)/rA:14cCCCCOCONCCCCNC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H20N2O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:8.09719
Area:390.784
Solvation:-1.6724
Coulombic:-42.4168
Bond Count [?]
All:14
Single:13
Double:1
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:200.278
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.18
LogP (Chemaxon):-0.72

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Descriptor Annotations

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