3-(3-hexylphenyl)butan-1-amine

C16H27N — CID 130373287

IUPAC3-(3-hexylphenyl)butan-1-amine
SMILESCCCCCCc1cccc(C(C)CCN)c1
InChIInChI=1S/C16H27N/c1-3-4-5-6-8-15-9-7-10-16(13-15)14(2)11-12-17/h7,9-10,13-14H,3-6,8,11-12,17H2,1-2H3
InChIKeyQJLKJBQLMMDRCJ-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.26
Rot. Bonds8

About 3-(3-hexylphenyl)butan-1-amine

3-(3-hexylphenyl)butan-1-amine (PubChem CID 130373287) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3-(3-hexylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(3-hexylphenyl)butan-1-amine
PubChem CID130373287
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3-(3-hexylphenyl)butan-1-amine
SMILESCCCCCCc1cccc(C(C)CCN)c1
InChIInChI=1S/C16H27N/c1-3-4-5-6-8-15-9-7-10-16(13-15)14(2)11-12-17/h7,9-10,13-14H,3-6,8,11-12,17H2,1-2H3
InChIKeyQJLKJBQLMMDRCJ-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.26
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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Related Compounds

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1,3-di(tetradecyl)benzene
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3-[3-(2-fluoro-2-methylpropyl)phenyl]butan-1-amine
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1-(3-nonylphenyl)butane-1-sulfonic acid
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3-[3-(2-methoxypropyl)phenyl]butan-1-amine
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3-docosylaniline
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Frequently Asked Questions

What is the IUPAC name of 3-(3-hexylphenyl)butan-1-amine?
The IUPAC name of 3-(3-hexylphenyl)butan-1-amine (CID 130373287) is 3-(3-hexylphenyl)butan-1-amine.
What is the SMILES notation for 3-(3-hexylphenyl)butan-1-amine?
The canonical SMILES for 3-(3-hexylphenyl)butan-1-amine is CCCCCCc1cccc(C(C)CCN)c1.
What is the InChIKey of 3-(3-hexylphenyl)butan-1-amine?
The InChIKey is QJLKJBQLMMDRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-3-4-5-6-8-15-9-7-10-16(13-15)14(2)11-12-17/h7,9-10,13-14H,3-6,8,11-12,17H2,1-2H3.
What are the key properties of 3-(3-hexylphenyl)butan-1-amine?
3-(3-hexylphenyl)butan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hexylphenyl)butan-1-amine is sourced from PubChem (CID 130373287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).