benzyl N-(3-aminocyclohexyl)-N-methylcarbamate

C15H22N2O2 — CID 138114146

IUPACbenzyl N-(3-aminocyclohexyl)-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C1CCCC(N)C1
InChIInChI=1S/C15H22N2O2/c1-17(14-9-5-8-13(16)10-14)15(18)19-11-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11,16H2,1H3
InChIKeyGURDQDHKVRITDA-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.52
Rot. Bonds3

About benzyl N-(3-aminocyclohexyl)-N-methylcarbamate

benzyl N-(3-aminocyclohexyl)-N-methylcarbamate (PubChem CID 138114146) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is benzyl N-(3-aminocyclohexyl)-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-(3-aminocyclohexyl)-N-methylcarbamate
PubChem CID138114146
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namebenzyl N-(3-aminocyclohexyl)-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C1CCCC(N)C1
InChIInChI=1S/C15H22N2O2/c1-17(14-9-5-8-13(16)10-14)15(18)19-11-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11,16H2,1H3
InChIKeyGURDQDHKVRITDA-UHFFFAOYSA-N
XLogP2.52
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
benzyl N-[(1R,3R,4S)-3,4-dihydroxycyclohexyl]-N-methylcarbamate
CID 67475983
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181
benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate
CID 86589723
2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid
CID 66566879
benzyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]-N-methylcarbamate
CID 129231388
benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate
CID 155061465
benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid
CID 118077491
benzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate
CID 66566678
tert-butyl (3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate
CID 124562604
benzene;benzyl N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 142032996
benzyl N-methyl-N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamate
CID 178100467

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-aminocyclohexyl)-N-methylcarbamate?
The IUPAC name of benzyl N-(3-aminocyclohexyl)-N-methylcarbamate (CID 138114146) is benzyl N-(3-aminocyclohexyl)-N-methylcarbamate.
What is the SMILES notation for benzyl N-(3-aminocyclohexyl)-N-methylcarbamate?
The canonical SMILES for benzyl N-(3-aminocyclohexyl)-N-methylcarbamate is CN(C(=O)OCc1ccccc1)C1CCCC(N)C1.
What is the InChIKey of benzyl N-(3-aminocyclohexyl)-N-methylcarbamate?
The InChIKey is GURDQDHKVRITDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(14-9-5-8-13(16)10-14)15(18)19-11-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11,16H2,1H3.
What are the key properties of benzyl N-(3-aminocyclohexyl)-N-methylcarbamate?
benzyl N-(3-aminocyclohexyl)-N-methylcarbamate has a molecular weight of 262.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-aminocyclohexyl)-N-methylcarbamate is sourced from PubChem (CID 138114146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).