benzyl N-(4-amino-4-methylcyclohexyl)carbamate

C15H22N2O2 — CID 168763188

IUPACbenzyl N-(4-amino-4-methylcyclohexyl)carbamate
SMILESCC1(N)CCC(NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c1-15(16)9-7-13(8-10-15)17-14(18)19-11-12-5-3-2-4-6-12/h2-6,13H,7-11,16H2,1H3,(H,17,18)
InChIKeyWENZRNNJXBSEFO-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.57
Rot. Bonds3

About benzyl N-(4-amino-4-methylcyclohexyl)carbamate

benzyl N-(4-amino-4-methylcyclohexyl)carbamate (PubChem CID 168763188) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is benzyl N-(4-amino-4-methylcyclohexyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-amino-4-methylcyclohexyl)carbamate
PubChem CID168763188
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namebenzyl N-(4-amino-4-methylcyclohexyl)carbamate
SMILESCC1(N)CCC(NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c1-15(16)9-7-13(8-10-15)17-14(18)19-11-12-5-3-2-4-6-12/h2-6,13H,7-11,16H2,1H3,(H,17,18)
InChIKeyWENZRNNJXBSEFO-UHFFFAOYSA-N
XLogP2.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
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benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate
CID 130138434
benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate
CID 134282830
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride
CID 153383254
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium
CID 86306720

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-amino-4-methylcyclohexyl)carbamate?
The IUPAC name of benzyl N-(4-amino-4-methylcyclohexyl)carbamate (CID 168763188) is benzyl N-(4-amino-4-methylcyclohexyl)carbamate.
What is the SMILES notation for benzyl N-(4-amino-4-methylcyclohexyl)carbamate?
The canonical SMILES for benzyl N-(4-amino-4-methylcyclohexyl)carbamate is CC1(N)CCC(NC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl N-(4-amino-4-methylcyclohexyl)carbamate?
The InChIKey is WENZRNNJXBSEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(16)9-7-13(8-10-15)17-14(18)19-11-12-5-3-2-4-6-12/h2-6,13H,7-11,16H2,1H3,(H,17,18).
What are the key properties of benzyl N-(4-amino-4-methylcyclohexyl)carbamate?
benzyl N-(4-amino-4-methylcyclohexyl)carbamate has a molecular weight of 262.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-amino-4-methylcyclohexyl)carbamate is sourced from PubChem (CID 168763188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).