2,2-dimethylpropyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate

C16H27NO2 — CID 58895257

IUPAC2,2-dimethylpropyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
SMILESC=C(C)C1CC=C(CNC(=O)OCC(C)(C)C)CC1
InChIInChI=1S/C16H27NO2/c1-12(2)14-8-6-13(7-9-14)10-17-15(18)19-11-16(3,4)5/h6,14H,1,7-11H2,2-5H3,(H,17,18)
InChIKeyQGWAOPKCEXYJKA-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.06
Rot. Bonds4

About 2,2-dimethylpropyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate

2,2-dimethylpropyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate (PubChem CID 58895257) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2,2-dimethylpropyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate.

Molecular Properties

Compound Name2,2-dimethylpropyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
PubChem CID58895257
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2,2-dimethylpropyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate
SMILESC=C(C)C1CC=C(CNC(=O)OCC(C)(C)C)CC1
InChIInChI=1S/C16H27NO2/c1-12(2)14-8-6-13(7-9-14)10-17-15(18)19-11-16(3,4)5/h6,14H,1,7-11H2,2-5H3,(H,17,18)
InChIKeyQGWAOPKCEXYJKA-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,2-dimethylpropyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The IUPAC name of 2,2-dimethylpropyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate (CID 58895257) is 2,2-dimethylpropyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate.
What is the SMILES notation for 2,2-dimethylpropyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The canonical SMILES for 2,2-dimethylpropyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate is C=C(C)C1CC=C(CNC(=O)OCC(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethylpropyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
The InChIKey is QGWAOPKCEXYJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)14-8-6-13(7-9-14)10-17-15(18)19-11-16(3,4)5/h6,14H,1,7-11H2,2-5H3,(H,17,18).
What are the key properties of 2,2-dimethylpropyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate?
2,2-dimethylpropyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate has a molecular weight of 265.40 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]carbamate is sourced from PubChem (CID 58895257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).