benzyl N-[(4-aminocyclohexyl)methyl]carbamate

C15H22N2O2 — CID 59845659

IUPACbenzyl N-[(4-aminocyclohexyl)methyl]carbamate
SMILESNC1CCC(CNC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c16-14-8-6-12(7-9-14)10-17-15(18)19-11-13-4-2-1-3-5-13/h1-5,12,14H,6-11,16H2,(H,17,18)
InChIKeyPVXLQFDZXGYVIL-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.43
Rot. Bonds4

About benzyl N-[(4-aminocyclohexyl)methyl]carbamate

benzyl N-[(4-aminocyclohexyl)methyl]carbamate (PubChem CID 59845659) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is benzyl N-[(4-aminocyclohexyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(4-aminocyclohexyl)methyl]carbamate
PubChem CID59845659
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namebenzyl N-[(4-aminocyclohexyl)methyl]carbamate
SMILESNC1CCC(CNC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c16-14-8-6-12(7-9-14)10-17-15(18)19-11-13-4-2-1-3-5-13/h1-5,12,14H,6-11,16H2,(H,17,18)
InChIKeyPVXLQFDZXGYVIL-UHFFFAOYSA-N
XLogP2.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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benzyl N-[(3-methylcyclohexyl)methyl]carbamate
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benzyl N-(thian-3-ylmethyl)carbamate
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benzyl N-[(2-oxopiperidin-4-yl)methyl]carbamate
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benzyl N-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(4-aminocyclohexyl)methyl]carbamate?
The IUPAC name of benzyl N-[(4-aminocyclohexyl)methyl]carbamate (CID 59845659) is benzyl N-[(4-aminocyclohexyl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(4-aminocyclohexyl)methyl]carbamate?
The canonical SMILES for benzyl N-[(4-aminocyclohexyl)methyl]carbamate is NC1CCC(CNC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl N-[(4-aminocyclohexyl)methyl]carbamate?
The InChIKey is PVXLQFDZXGYVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-14-8-6-12(7-9-14)10-17-15(18)19-11-13-4-2-1-3-5-13/h1-5,12,14H,6-11,16H2,(H,17,18).
What are the key properties of benzyl N-[(4-aminocyclohexyl)methyl]carbamate?
benzyl N-[(4-aminocyclohexyl)methyl]carbamate has a molecular weight of 262.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(4-aminocyclohexyl)methyl]carbamate is sourced from PubChem (CID 59845659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).