(cyclohexen-1-ylamino) N-(2,6-dimethylphenyl)carbamate

C15H20N2O2 — CID 117060208

IUPAC(cyclohexen-1-ylamino) N-(2,6-dimethylphenyl)carbamate
SMILESCc1cccc(C)c1NC(=O)ONC1=CCCCC1
InChIInChI=1S/C15H20N2O2/c1-11-7-6-8-12(2)14(11)16-15(18)19-17-13-9-4-3-5-10-13/h6-9,17H,3-5,10H2,1-2H3,(H,16,18)
InChIKeyKAAKDHKOHDLDMJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.81
Rot. Bonds3

About (cyclohexen-1-ylamino) N-(2,6-dimethylphenyl)carbamate

(cyclohexen-1-ylamino) N-(2,6-dimethylphenyl)carbamate (PubChem CID 117060208) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (cyclohexen-1-ylamino) N-(2,6-dimethylphenyl)carbamate.

Molecular Properties

Compound Name(cyclohexen-1-ylamino) N-(2,6-dimethylphenyl)carbamate
PubChem CID117060208
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(cyclohexen-1-ylamino) N-(2,6-dimethylphenyl)carbamate
SMILESCc1cccc(C)c1NC(=O)ONC1=CCCCC1
InChIInChI=1S/C15H20N2O2/c1-11-7-6-8-12(2)14(11)16-15(18)19-17-13-9-4-3-5-10-13/h6-9,17H,3-5,10H2,1-2H3,(H,16,18)
InChIKeyKAAKDHKOHDLDMJ-UHFFFAOYSA-N
XLogP3.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.81
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

1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea
CID 4995212
(cyclohexen-1-ylamino) benzenesulfonate
CID 91196759
3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide
CID 109014890
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(2,6-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109103351
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
N'-(cyclohexen-1-yl)-2-phenoxyacetohydrazide
CID 4621301
3-(cyclohexen-1-ylamino)oxypropanoic acid
CID 57306132
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-acetamido-3-methylbenzoate
CID 18169986
cycloocten-1-ylurea
CID 154107907
N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 62045312
N-cycloheptyl-N'-(2,6-dimethylphenyl)oxamide
CID 7541637
N-(2-aminoethoxy)cyclohexen-1-amine
CID 90726751

Frequently Asked Questions

What is the IUPAC name of (cyclohexen-1-ylamino) N-(2,6-dimethylphenyl)carbamate?
The IUPAC name of (cyclohexen-1-ylamino) N-(2,6-dimethylphenyl)carbamate (CID 117060208) is (cyclohexen-1-ylamino) N-(2,6-dimethylphenyl)carbamate.
What is the SMILES notation for (cyclohexen-1-ylamino) N-(2,6-dimethylphenyl)carbamate?
The canonical SMILES for (cyclohexen-1-ylamino) N-(2,6-dimethylphenyl)carbamate is Cc1cccc(C)c1NC(=O)ONC1=CCCCC1.
What is the InChIKey of (cyclohexen-1-ylamino) N-(2,6-dimethylphenyl)carbamate?
The InChIKey is KAAKDHKOHDLDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-7-6-8-12(2)14(11)16-15(18)19-17-13-9-4-3-5-10-13/h6-9,17H,3-5,10H2,1-2H3,(H,16,18).
What are the key properties of (cyclohexen-1-ylamino) N-(2,6-dimethylphenyl)carbamate?
(cyclohexen-1-ylamino) N-(2,6-dimethylphenyl)carbamate has a molecular weight of 260.34 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexen-1-ylamino) N-(2,6-dimethylphenyl)carbamate is sourced from PubChem (CID 117060208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).