3,4,5-trimethylcyclohexan-1-amine

C₉H₁₉N — CID 130371803

About 3,4,5-trimethylcyclohexan-1-amine

3,4,5-trimethylcyclohexan-1-amine (PubChem CID 130371803) has the molecular formula C₉H₁₉N and a molecular weight of 141.26 g/mol. Its IUPAC name is 3,4,5-trimethylcyclohexan-1-amine.

Molecular Properties

• Compound Name: 3,4,5-trimethylcyclohexan-1-amine
• PubChem CID: 130371803
• Molecular Formula: C₉H₁₉N
• Molecular Weight: 141.26 g/mol
• Exact Mass: 141.15
• IUPAC Name: 3,4,5-trimethylcyclohexan-1-amine
• SMILES: CC1CC(N)CC(C)C1C
• InChI: InChI=1S/C9H19N/c1-6-4-9(10)5-7(2)8(6)3/h6-9H,4-5,10H2,1-3H3
• InChIKey: DIIKAFLFAPCSPD-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 26.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	141.26
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethylcyclohexan-1-amine?

The IUPAC name of 3,4,5-trimethylcyclohexan-1-amine (CID 130371803) is 3,4,5-trimethylcyclohexan-1-amine.

What is the SMILES notation for 3,4,5-trimethylcyclohexan-1-amine?

The canonical SMILES for 3,4,5-trimethylcyclohexan-1-amine is CC1CC(N)CC(C)C1C.

What is the InChIKey of 3,4,5-trimethylcyclohexan-1-amine?

The InChIKey is DIIKAFLFAPCSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-6-4-9(10)5-7(2)8(6)3/h6-9H,4-5,10H2,1-3H3.

What are the key properties of 3,4,5-trimethylcyclohexan-1-amine?

3,4,5-trimethylcyclohexan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 130371803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130371803 — identifiers, structure, computed properties (public domain)

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