(1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine

C13H17N — CID 155107146

IUPAC(1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine
SMILESCc1ccc(C2C=C[C@@H](N)CC2)cc1
InChIInChI=1S/C13H17N/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-6,8,12-13H,7,9,14H2,1H3/t12?,13-/m1/s1
InChIKeyQFJHIZAVOCQQGC-ZGTCLIOFSA-N
MW187.29 g/mol
LogP2.76
Rot. Bonds1

About (1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine

(1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine (PubChem CID 155107146) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name(1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine
PubChem CID155107146
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine
SMILESCc1ccc(C2C=C[C@@H](N)CC2)cc1
InChIInChI=1S/C13H17N/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-6,8,12-13H,7,9,14H2,1H3/t12?,13-/m1/s1
InChIKeyQFJHIZAVOCQQGC-ZGTCLIOFSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine?
The IUPAC name of (1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine (CID 155107146) is (1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine.
What is the SMILES notation for (1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine?
The canonical SMILES for (1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine is Cc1ccc(C2C=C[C@@H](N)CC2)cc1.
What is the InChIKey of (1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine?
The InChIKey is QFJHIZAVOCQQGC-ZGTCLIOFSA-N. The full InChI is InChI=1S/C13H17N/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-6,8,12-13H,7,9,14H2,1H3/t12?,13-/m1/s1.
What are the key properties of (1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine?
(1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine has a molecular weight of 187.29 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 155107146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).