N-butylhexan-1-amine

C10H23N — CID 559367

IUPACN-butylhexan-1-amine
SMILESCCCCCCNCCCC
InChIInChI=1S/C10H23N/c1-3-5-7-8-10-11-9-6-4-2/h11H,3-10H2,1-2H3
InChIKeyUYZWCDKHEOBGLW-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.96
Rot. Bonds8

About N-butylhexan-1-amine

N-butylhexan-1-amine (PubChem CID 559367) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is N-butylhexan-1-amine.

Molecular Properties

Compound NameN-butylhexan-1-amine
PubChem CID559367
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC NameN-butylhexan-1-amine
SMILESCCCCCCNCCCC
InChIInChI=1S/C10H23N/c1-3-5-7-8-10-11-9-6-4-2/h11H,3-10H2,1-2H3
InChIKeyUYZWCDKHEOBGLW-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.96
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 N-butylhexan-1-amine?
The IUPAC name of N-butylhexan-1-amine (CID 559367) is N-butylhexan-1-amine.
What is the SMILES notation for N-butylhexan-1-amine?
The canonical SMILES for N-butylhexan-1-amine is CCCCCCNCCCC.
What is the InChIKey of N-butylhexan-1-amine?
The InChIKey is UYZWCDKHEOBGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-3-5-7-8-10-11-9-6-4-2/h11H,3-10H2,1-2H3.
What are the key properties of N-butylhexan-1-amine?
N-butylhexan-1-amine has a molecular weight of 157.30 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylhexan-1-amine is sourced from PubChem (CID 559367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).