hexan-1-amine

C6H15N — CID 8102

IUPAChexan-1-amine
SMILESCCCCCCN
InChIInChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3
InChIKeyBMVXCPBXGZKUPN-UHFFFAOYSA-N
MW101.19 g/mol
LogP1.53
Rot. Bonds4

About hexan-1-amine

hexan-1-amine (PubChem CID 8102) has the molecular formula C6H15N and a molecular weight of 101.19 g/mol. Its IUPAC name is hexan-1-amine.

Molecular Properties

Compound Namehexan-1-amine
PubChem CID8102
Molecular FormulaC6H15N
Molecular Weight101.19 g/mol
Exact Mass101.12
IUPAC Namehexan-1-amine
SMILESCCCCCCN
InChIInChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3
InChIKeyBMVXCPBXGZKUPN-UHFFFAOYSA-N
XLogP1.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.19
LogP ≤ 51.53
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

Butylamine
CID 8007
Cadaverine
CID 273
Hexamethylenediamine
CID 16402
Pentylamine
CID 8060
1-Heptanamine
CID 8127
1,6-Diaminohexane
CID 1549137
2-Hexanamine
CID 21405
1-Hexanamine, hydrochloride (1:1)
CID 67342
6-Fluorohexan-1-amine
CID 10025
n-Amylamine hydrochloride
CID 120182
Hexanediamine
CID 134940
2-Hexanamine, (R)-
CID 6993464

Frequently Asked Questions

What is the IUPAC name of hexan-1-amine?
The IUPAC name of hexan-1-amine (CID 8102) is hexan-1-amine.
What is the SMILES notation for hexan-1-amine?
The canonical SMILES for hexan-1-amine is CCCCCCN.
What is the InChIKey of hexan-1-amine?
The InChIKey is BMVXCPBXGZKUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3.
What are the key properties of hexan-1-amine?
hexan-1-amine has a molecular weight of 101.19 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-1-amine is sourced from PubChem (CID 8102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).