benzyl N-(cyclohexylidenemethylamino)carbamate

C15H20N2O2 — CID 91527428

IUPACbenzyl N-(cyclohexylidenemethylamino)carbamate
SMILESO=C(NNC=C1CCCCC1)OCc1ccccc1
InChIInChI=1S/C15H20N2O2/c18-15(19-12-14-9-5-2-6-10-14)17-16-11-13-7-3-1-4-8-13/h2,5-6,9-11,16H,1,3-4,7-8,12H2,(H,17,18)
InChIKeyJXWNHWLZMVNIAG-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.27
Rot. Bonds4

About benzyl N-(cyclohexylidenemethylamino)carbamate

benzyl N-(cyclohexylidenemethylamino)carbamate (PubChem CID 91527428) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is benzyl N-(cyclohexylidenemethylamino)carbamate.

Molecular Properties

Compound Namebenzyl N-(cyclohexylidenemethylamino)carbamate
PubChem CID91527428
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namebenzyl N-(cyclohexylidenemethylamino)carbamate
SMILESO=C(NNC=C1CCCCC1)OCc1ccccc1
InChIInChI=1S/C15H20N2O2/c18-15(19-12-14-9-5-2-6-10-14)17-16-11-13-7-3-1-4-8-13/h2,5-6,9-11,16H,1,3-4,7-8,12H2,(H,17,18)
InChIKeyJXWNHWLZMVNIAG-UHFFFAOYSA-N
XLogP3.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-(carbamoylamino)carbamate
CID 141421180
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
benzyl N-piperidin-1-ylcarbamate
CID 3770567
benzyl N-cyclohexylsulfonylcarbamate
CID 122231428
benzyl N-(methylamino)carbamate;hydrochloride
CID 24801390
benzyl N-(piperidin-1-ylmethyl)carbamate
CID 22375295
benzyl N-chlorocarbamate
CID 2755304
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 14219049
benzyl N-benzamidocarbamate
CID 4935848
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425
benzyl N-[(2S)-1-[[(1R)-1-amino-2-hydroxyethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamate
CID 11793083

Frequently Asked Questions

What is the IUPAC name of benzyl N-(cyclohexylidenemethylamino)carbamate?
The IUPAC name of benzyl N-(cyclohexylidenemethylamino)carbamate (CID 91527428) is benzyl N-(cyclohexylidenemethylamino)carbamate.
What is the SMILES notation for benzyl N-(cyclohexylidenemethylamino)carbamate?
The canonical SMILES for benzyl N-(cyclohexylidenemethylamino)carbamate is O=C(NNC=C1CCCCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-(cyclohexylidenemethylamino)carbamate?
The InChIKey is JXWNHWLZMVNIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(19-12-14-9-5-2-6-10-14)17-16-11-13-7-3-1-4-8-13/h2,5-6,9-11,16H,1,3-4,7-8,12H2,(H,17,18).
What are the key properties of benzyl N-(cyclohexylidenemethylamino)carbamate?
benzyl N-(cyclohexylidenemethylamino)carbamate has a molecular weight of 260.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(cyclohexylidenemethylamino)carbamate is sourced from PubChem (CID 91527428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).