N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine

C₁₃H₂₃N — CID 15063987

About N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine

N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine (PubChem CID 15063987) has the molecular formula C₁₃H₂₃N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine.

Molecular Properties

• Compound Name: N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine
• PubChem CID: 15063987
• Molecular Formula: C₁₃H₂₃N
• Molecular Weight: 193.33 g/mol
• Exact Mass: 193.18
• IUPAC Name: N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine
• SMILES: C=CCN(CC(C)C)C1=CCCCC1
• InChI: InChI=1S/C13H23N/c1-4-10-14(11-12(2)3)13-8-6-5-7-9-13/h4,8,12H,1,5-7,9-11H2,2-3H3
• InChIKey: YABUHJLLJGRRNG-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	193.33
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine?

The IUPAC name of N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine (CID 15063987) is N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine.

What is the SMILES notation for N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine?

The canonical SMILES for N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine is C=CCN(CC(C)C)C1=CCCCC1.

What is the InChIKey of N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine?

The InChIKey is YABUHJLLJGRRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-4-10-14(11-12(2)3)13-8-6-5-7-9-13/h4,8,12H,1,5-7,9-11H2,2-3H3.

What are the key properties of N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine?

N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylpropyl)-N-prop-2-enylcyclohexen-1-amine is sourced from PubChem (CID 15063987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15063987 — identifiers, structure, computed properties (public domain)

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