5-methylhexan-1-amine

C7H17N — CID 15267850

IUPAC5-methylhexan-1-amine
SMILESCC(C)CCCCN
InChIInChI=1S/C7H17N/c1-7(2)5-3-4-6-8/h7H,3-6,8H2,1-2H3
InChIKeyFBKYCBKRNDJLCX-UHFFFAOYSA-N
MW115.22 g/mol
LogP1.77
Rot. Bonds4

About 5-methylhexan-1-amine

5-methylhexan-1-amine (PubChem CID 15267850) has the molecular formula C7H17N and a molecular weight of 115.22 g/mol. Its IUPAC name is 5-methylhexan-1-amine.

Molecular Properties

Compound Name5-methylhexan-1-amine
PubChem CID15267850
Molecular FormulaC7H17N
Molecular Weight115.22 g/mol
Exact Mass115.14
IUPAC Name5-methylhexan-1-amine
SMILESCC(C)CCCCN
InChIInChI=1S/C7H17N/c1-7(2)5-3-4-6-8/h7H,3-6,8H2,1-2H3
InChIKeyFBKYCBKRNDJLCX-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.22
LogP ≤ 51.77
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 5-methylhexan-1-amine?
The IUPAC name of 5-methylhexan-1-amine (CID 15267850) is 5-methylhexan-1-amine.
What is the SMILES notation for 5-methylhexan-1-amine?
The canonical SMILES for 5-methylhexan-1-amine is CC(C)CCCCN.
What is the InChIKey of 5-methylhexan-1-amine?
The InChIKey is FBKYCBKRNDJLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N/c1-7(2)5-3-4-6-8/h7H,3-6,8H2,1-2H3.
What are the key properties of 5-methylhexan-1-amine?
5-methylhexan-1-amine has a molecular weight of 115.22 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhexan-1-amine is sourced from PubChem (CID 15267850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).