(1S)-5-methylcyclohex-3-en-1-amine

C7H13N — CID 175324553

IUPAC(1S)-5-methylcyclohex-3-en-1-amine
SMILESCC1C=CC[C@H](N)C1
InChIInChI=1S/C7H13N/c1-6-3-2-4-7(8)5-6/h2-3,6-7H,4-5,8H2,1H3/t6?,7-/m0/s1
InChIKeyPBLHOCNQPUNKNW-MLWJPKLSSA-N
MW111.19 g/mol
LogP1.30
Rot. Bonds

About (1S)-5-methylcyclohex-3-en-1-amine

(1S)-5-methylcyclohex-3-en-1-amine (PubChem CID 175324553) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (1S)-5-methylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name(1S)-5-methylcyclohex-3-en-1-amine
PubChem CID175324553
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(1S)-5-methylcyclohex-3-en-1-amine
SMILESCC1C=CC[C@H](N)C1
InChIInChI=1S/C7H13N/c1-6-3-2-4-7(8)5-6/h2-3,6-7H,4-5,8H2,1H3/t6?,7-/m0/s1
InChIKeyPBLHOCNQPUNKNW-MLWJPKLSSA-N
XLogP1.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.30
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)-5-methylcyclohex-3-en-1-amine?
The IUPAC name of (1S)-5-methylcyclohex-3-en-1-amine (CID 175324553) is (1S)-5-methylcyclohex-3-en-1-amine.
What is the SMILES notation for (1S)-5-methylcyclohex-3-en-1-amine?
The canonical SMILES for (1S)-5-methylcyclohex-3-en-1-amine is CC1C=CC[C@H](N)C1.
What is the InChIKey of (1S)-5-methylcyclohex-3-en-1-amine?
The InChIKey is PBLHOCNQPUNKNW-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H13N/c1-6-3-2-4-7(8)5-6/h2-3,6-7H,4-5,8H2,1H3/t6?,7-/m0/s1.
What are the key properties of (1S)-5-methylcyclohex-3-en-1-amine?
(1S)-5-methylcyclohex-3-en-1-amine has a molecular weight of 111.19 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-methylcyclohex-3-en-1-amine is sourced from PubChem (CID 175324553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).