1-N-[2-(cyclohexen-1-yl)ethyl]-3-propoxybenzene-1,2-diamine

C17H26N2O — CID 107846137

IUPAC1-N-[2-(cyclohexen-1-yl)ethyl]-3-propoxybenzene-1,2-diamine
SMILESCCCOc1cccc(NCCC2=CCCCC2)c1N
InChIInChI=1S/C17H26N2O/c1-2-13-20-16-10-6-9-15(17(16)18)19-12-11-14-7-4-3-5-8-14/h6-7,9-10,19H,2-5,8,11-13,18H2,1H3
InChIKeySGJWQJVRLKBWBP-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.36
Rot. Bonds7

About 1-N-[2-(cyclohexen-1-yl)ethyl]-3-propoxybenzene-1,2-diamine

1-N-[2-(cyclohexen-1-yl)ethyl]-3-propoxybenzene-1,2-diamine (PubChem CID 107846137) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-N-[2-(cyclohexen-1-yl)ethyl]-3-propoxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(cyclohexen-1-yl)ethyl]-3-propoxybenzene-1,2-diamine
PubChem CID107846137
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-N-[2-(cyclohexen-1-yl)ethyl]-3-propoxybenzene-1,2-diamine
SMILESCCCOc1cccc(NCCC2=CCCCC2)c1N
InChIInChI=1S/C17H26N2O/c1-2-13-20-16-10-6-9-15(17(16)18)19-12-11-14-7-4-3-5-8-14/h6-7,9-10,19H,2-5,8,11-13,18H2,1H3
InChIKeySGJWQJVRLKBWBP-UHFFFAOYSA-N
XLogP4.36
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-[2-(cyclohexen-1-yl)ethyl]-3-propoxybenzene-1,2-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-N-[2-(cyclopenten-1-yl)ethyl]-2-propoxybenzene-1,4-diamine
CID 106166400
5-(2-amino-3-propoxyanilino)pentan-1-ol
CID 107316474
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonylaniline
CID 61146886
2-[2-(cyclohexen-1-yl)ethylamino]benzenesulfonamide
CID 61147190
2-(cyclohexen-1-yl)-1-(2-propoxyphenyl)ethanamine
CID 116661260
2-(2-amino-3-propoxyanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107845644
N-[2-(cyclohepten-1-yl)ethyl]-2-methylsulfonylaniline
CID 133477083
2-[2-(cyclohexen-1-yl)ethylamino]-N-ethylbenzenesulfonamide
CID 61147344
4-N-[2-(cyclohexen-1-yl)ethyl]-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141740
6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112869410
4-N-[2-(cyclohexen-1-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 112854487
3-(2-amino-3-propoxyanilino)-2,2-dimethylpropanamide
CID 106275179

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-3-propoxybenzene-1,2-diamine?
The IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-3-propoxybenzene-1,2-diamine (CID 107846137) is 1-N-[2-(cyclohexen-1-yl)ethyl]-3-propoxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-[2-(cyclohexen-1-yl)ethyl]-3-propoxybenzene-1,2-diamine?
The canonical SMILES for 1-N-[2-(cyclohexen-1-yl)ethyl]-3-propoxybenzene-1,2-diamine is CCCOc1cccc(NCCC2=CCCCC2)c1N.
What is the InChIKey of 1-N-[2-(cyclohexen-1-yl)ethyl]-3-propoxybenzene-1,2-diamine?
The InChIKey is SGJWQJVRLKBWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-13-20-16-10-6-9-15(17(16)18)19-12-11-14-7-4-3-5-8-14/h6-7,9-10,19H,2-5,8,11-13,18H2,1H3.
What are the key properties of 1-N-[2-(cyclohexen-1-yl)ethyl]-3-propoxybenzene-1,2-diamine?
1-N-[2-(cyclohexen-1-yl)ethyl]-3-propoxybenzene-1,2-diamine has a molecular weight of 274.41 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(cyclohexen-1-yl)ethyl]-3-propoxybenzene-1,2-diamine is sourced from PubChem (CID 107846137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).