(4-methylcyclohex-3-en-1-yl)methanamine

C8H15N — CID 11094615

IUPAC(4-methylcyclohex-3-en-1-yl)methanamine
SMILESCC1=CCC(CN)CC1
InChIInChI=1S/C8H15N/c1-7-2-4-8(6-9)5-3-7/h2,8H,3-6,9H2,1H3
InChIKeyLHGHNEHPQHQYTL-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.69
Rot. Bonds1

About (4-methylcyclohex-3-en-1-yl)methanamine

(4-methylcyclohex-3-en-1-yl)methanamine (PubChem CID 11094615) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (4-methylcyclohex-3-en-1-yl)methanamine.

Molecular Properties

Compound Name(4-methylcyclohex-3-en-1-yl)methanamine
PubChem CID11094615
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(4-methylcyclohex-3-en-1-yl)methanamine
SMILESCC1=CCC(CN)CC1
InChIInChI=1S/C8H15N/c1-7-2-4-8(6-9)5-3-7/h2,8H,3-6,9H2,1H3
InChIKeyLHGHNEHPQHQYTL-UHFFFAOYSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.69
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 (4-methylcyclohex-3-en-1-yl)methanamine?
The IUPAC name of (4-methylcyclohex-3-en-1-yl)methanamine (CID 11094615) is (4-methylcyclohex-3-en-1-yl)methanamine.
What is the SMILES notation for (4-methylcyclohex-3-en-1-yl)methanamine?
The canonical SMILES for (4-methylcyclohex-3-en-1-yl)methanamine is CC1=CCC(CN)CC1.
What is the InChIKey of (4-methylcyclohex-3-en-1-yl)methanamine?
The InChIKey is LHGHNEHPQHQYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7-2-4-8(6-9)5-3-7/h2,8H,3-6,9H2,1H3.
What are the key properties of (4-methylcyclohex-3-en-1-yl)methanamine?
(4-methylcyclohex-3-en-1-yl)methanamine has a molecular weight of 125.21 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohex-3-en-1-yl)methanamine is sourced from PubChem (CID 11094615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).