4-nonylcyclohexan-1-amine

C15H31N — CID 3063999

IUPAC4-nonylcyclohexan-1-amine
SMILESCCCCCCCCCC1CCC(N)CC1
InChIInChI=1S/C15H31N/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h14-15H,2-13,16H2,1H3
InChIKeyHXTBVHGLLSNIEO-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.64
Rot. Bonds8

About 4-nonylcyclohexan-1-amine

4-nonylcyclohexan-1-amine (PubChem CID 3063999) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 4-nonylcyclohexan-1-amine.

Molecular Properties

Compound Name4-nonylcyclohexan-1-amine
PubChem CID3063999
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name4-nonylcyclohexan-1-amine
SMILESCCCCCCCCCC1CCC(N)CC1
InChIInChI=1S/C15H31N/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h14-15H,2-13,16H2,1H3
InChIKeyHXTBVHGLLSNIEO-UHFFFAOYSA-N
XLogP4.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-nonylcyclohexan-1-amine?
The IUPAC name of 4-nonylcyclohexan-1-amine (CID 3063999) is 4-nonylcyclohexan-1-amine.
What is the SMILES notation for 4-nonylcyclohexan-1-amine?
The canonical SMILES for 4-nonylcyclohexan-1-amine is CCCCCCCCCC1CCC(N)CC1.
What is the InChIKey of 4-nonylcyclohexan-1-amine?
The InChIKey is HXTBVHGLLSNIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h14-15H,2-13,16H2,1H3.
What are the key properties of 4-nonylcyclohexan-1-amine?
4-nonylcyclohexan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonylcyclohexan-1-amine is sourced from PubChem (CID 3063999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).