1-N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzene-1,2-diamine

C15H22N2 — CID 107845952

IUPAC1-N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzene-1,2-diamine
SMILESCc1ccc(NCCC2=CCCCC2)c(N)c1
InChIInChI=1S/C15H22N2/c1-12-7-8-15(14(16)11-12)17-10-9-13-5-3-2-4-6-13/h5,7-8,11,17H,2-4,6,9-10,16H2,1H3
InChIKeySYKNJJQETQNOFU-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.88
Rot. Bonds4

About 1-N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzene-1,2-diamine

1-N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzene-1,2-diamine (PubChem CID 107845952) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzene-1,2-diamine
PubChem CID107845952
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzene-1,2-diamine
SMILESCc1ccc(NCCC2=CCCCC2)c(N)c1
InChIInChI=1S/C15H22N2/c1-12-7-8-15(14(16)11-12)17-10-9-13-5-3-2-4-6-13/h5,7-8,11,17H,2-4,6,9-10,16H2,1H3
InChIKeySYKNJJQETQNOFU-UHFFFAOYSA-N
XLogP3.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-amino-4-[2-(cyclohexen-1-yl)ethylamino]benzoate
CID 100620771
3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide
CID 107846340
1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 106166262
4-N-[2-(cyclohexen-1-yl)ethyl]-2-methylquinoline-4,6-diamine
CID 107846198
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 79884493
1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 114152744
4-[2-(cyclohexen-1-yl)ethylamino]-3-fluorobenzamide
CID 126811874
4-N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 107846020
2-(2-amino-5-methylphenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 79128805
5-chloro-2-[2-(cyclohexen-1-yl)ethylamino]benzonitrile
CID 63510110
4-amino-3-[2-(cyclopenten-1-yl)ethylamino]benzamide
CID 114152757
2-[2-(cyclohexen-1-yl)ethylamino]benzenesulfonamide
CID 61147190

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzene-1,2-diamine (CID 107845952) is 1-N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzene-1,2-diamine is Cc1ccc(NCCC2=CCCCC2)c(N)c1.
What is the InChIKey of 1-N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzene-1,2-diamine?
The InChIKey is SYKNJJQETQNOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12-7-8-15(14(16)11-12)17-10-9-13-5-3-2-4-6-13/h5,7-8,11,17H,2-4,6,9-10,16H2,1H3.
What are the key properties of 1-N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzene-1,2-diamine?
1-N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzene-1,2-diamine has a molecular weight of 230.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzene-1,2-diamine is sourced from PubChem (CID 107845952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).