tert-butyl N-[3-(2-ethylhexylamino)cyclohexyl]carbamate

C19H38N2O2 — CID 103720045

IUPACtert-butyl N-[3-(2-ethylhexylamino)cyclohexyl]carbamate
SMILESCCCCC(CC)CNC1CCCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H38N2O2/c1-6-8-10-15(7-2)14-20-16-11-9-12-17(13-16)21-18(22)23-19(3,4)5/h15-17,20H,6-14H2,1-5H3,(H,21,22)
InChIKeyUABDOWNJOOVVQS-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.63
Rot. Bonds8

About tert-butyl N-[3-(2-ethylhexylamino)cyclohexyl]carbamate

tert-butyl N-[3-(2-ethylhexylamino)cyclohexyl]carbamate (PubChem CID 103720045) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is tert-butyl N-[3-(2-ethylhexylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-ethylhexylamino)cyclohexyl]carbamate
PubChem CID103720045
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Nametert-butyl N-[3-(2-ethylhexylamino)cyclohexyl]carbamate
SMILESCCCCC(CC)CNC1CCCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H38N2O2/c1-6-8-10-15(7-2)14-20-16-11-9-12-17(13-16)21-18(22)23-19(3,4)5/h15-17,20H,6-14H2,1-5H3,(H,21,22)
InChIKeyUABDOWNJOOVVQS-UHFFFAOYSA-N
XLogP4.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate
CID 115756939
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-[(2-hydroxy-4,4-dimethylpentyl)amino]cyclohexyl]carbamate
CID 107151492
tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
CID 79462575
N-(2-ethylhexyl)-3-methylsulfonylcyclohexan-1-amine
CID 107820018
tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
CID 99581442
tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate
CID 79458834
tert-butyl N-[3-[[2-(methylamino)-2-oxoethyl]amino]cyclohexyl]carbamate
CID 79459021
tert-butyl N-[3-(heptan-2-ylamino)cyclopentyl]carbamate
CID 79462216
methyl 3-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]propanoate
CID 79462183
tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate
CID 79461574

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-ethylhexylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-ethylhexylamino)cyclohexyl]carbamate (CID 103720045) is tert-butyl N-[3-(2-ethylhexylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-ethylhexylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-ethylhexylamino)cyclohexyl]carbamate is CCCCC(CC)CNC1CCCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(2-ethylhexylamino)cyclohexyl]carbamate?
The InChIKey is UABDOWNJOOVVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-6-8-10-15(7-2)14-20-16-11-9-12-17(13-16)21-18(22)23-19(3,4)5/h15-17,20H,6-14H2,1-5H3,(H,21,22).
What are the key properties of tert-butyl N-[3-(2-ethylhexylamino)cyclohexyl]carbamate?
tert-butyl N-[3-(2-ethylhexylamino)cyclohexyl]carbamate has a molecular weight of 326.53 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-ethylhexylamino)cyclohexyl]carbamate is sourced from PubChem (CID 103720045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).