benzyl N-(4-aminocyclohexyl)-N-methylcarbamate

C15H22N2O2 — CID 91599052

IUPACbenzyl N-(4-aminocyclohexyl)-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C1CCC(N)CC1
InChIInChI=1S/C15H22N2O2/c1-17(14-9-7-13(16)8-10-14)15(18)19-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3
InChIKeyATWYORCQWCQMKO-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.52
Rot. Bonds3

About benzyl N-(4-aminocyclohexyl)-N-methylcarbamate

benzyl N-(4-aminocyclohexyl)-N-methylcarbamate (PubChem CID 91599052) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is benzyl N-(4-aminocyclohexyl)-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-(4-aminocyclohexyl)-N-methylcarbamate
PubChem CID91599052
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namebenzyl N-(4-aminocyclohexyl)-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C1CCC(N)CC1
InChIInChI=1S/C15H22N2O2/c1-17(14-9-7-13(16)8-10-14)15(18)19-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3
InChIKeyATWYORCQWCQMKO-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-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate
CID 86589723
benzyl N-(3-aminocyclohexyl)-N-methylcarbamate
CID 138114146
benzyl N-[(1R,3R,4S)-3,4-dihydroxycyclohexyl]-N-methylcarbamate
CID 67475983
benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate
CID 155061465
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181
benzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate
CID 66566678
N-(4-aminocyclohexyl)-N-methyl-2-phenylacetamide
CID 79121383
benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid
CID 118077491
benzyl N-methyl-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 91361033
9H-fluoren-9-ylmethyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 167441327
1-(4-aminocyclohexyl)-3-benzyl-1-methylurea
CID 107652884
benzyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]-N-methylcarbamate
CID 129231388

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-aminocyclohexyl)-N-methylcarbamate?
The IUPAC name of benzyl N-(4-aminocyclohexyl)-N-methylcarbamate (CID 91599052) is benzyl N-(4-aminocyclohexyl)-N-methylcarbamate.
What is the SMILES notation for benzyl N-(4-aminocyclohexyl)-N-methylcarbamate?
The canonical SMILES for benzyl N-(4-aminocyclohexyl)-N-methylcarbamate is CN(C(=O)OCc1ccccc1)C1CCC(N)CC1.
What is the InChIKey of benzyl N-(4-aminocyclohexyl)-N-methylcarbamate?
The InChIKey is ATWYORCQWCQMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(14-9-7-13(16)8-10-14)15(18)19-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3.
What are the key properties of benzyl N-(4-aminocyclohexyl)-N-methylcarbamate?
benzyl N-(4-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-(4-aminocyclohexyl)-N-methylcarbamate is sourced from PubChem (CID 91599052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).