pentan-1-amine

C5H13N — CID 8060

IUPACpentan-1-amine
SMILESCCCCCN
InChIInChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3
InChIKeyDPBLXKKOBLCELK-UHFFFAOYSA-N
MW87.17 g/mol
LogP1.14
Rot. Bonds3

About pentan-1-amine

pentan-1-amine (PubChem CID 8060) has the molecular formula C5H13N and a molecular weight of 87.17 g/mol. Its IUPAC name is pentan-1-amine.

Molecular Properties

Compound Namepentan-1-amine
PubChem CID8060
Molecular FormulaC5H13N
Molecular Weight87.17 g/mol
Exact Mass87.10
IUPAC Namepentan-1-amine
SMILESCCCCCN
InChIInChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3
InChIKeyDPBLXKKOBLCELK-UHFFFAOYSA-N
XLogP1.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.17
LogP ≤ 51.14
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
Hexylamine
CID 8102
1-Heptanamine
CID 8127
2-Pentanamine
CID 12246
2-Hexanamine
CID 21405
1-Hexanamine, hydrochloride (1:1)
CID 67342
1,5-Diaminopentane dihydrochloride
CID 5351467
n-Butylamine hydrochloride
CID 19726
Butylamine hydrochloride
CID 6432400
Cadaverine(2+)
CID 3718401
5-Fluoropentan-1-amine
CID 68966

Frequently Asked Questions

What is the IUPAC name of pentan-1-amine?
The IUPAC name of pentan-1-amine (CID 8060) is pentan-1-amine.
What is the SMILES notation for pentan-1-amine?
The canonical SMILES for pentan-1-amine is CCCCCN.
What is the InChIKey of pentan-1-amine?
The InChIKey is DPBLXKKOBLCELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3.
What are the key properties of pentan-1-amine?
pentan-1-amine has a molecular weight of 87.17 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-1-amine is sourced from PubChem (CID 8060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).