butan-1-amine

C4H11N — CID 8007

IUPACbutan-1-amine
SMILESCCCCN
InChIInChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
InChIKeyHQABUPZFAYXKJW-UHFFFAOYSA-N
MW73.14 g/mol
LogP0.75
Rot. Bonds2

About butan-1-amine

butan-1-amine (PubChem CID 8007) has the molecular formula C4H11N and a molecular weight of 73.14 g/mol. Its IUPAC name is butan-1-amine.

Molecular Properties

Compound Namebutan-1-amine
PubChem CID8007
Molecular FormulaC4H11N
Molecular Weight73.14 g/mol
Exact Mass73.09
IUPAC Namebutan-1-amine
SMILESCCCCN
InChIInChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
InChIKeyHQABUPZFAYXKJW-UHFFFAOYSA-N
XLogP0.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.14
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butan-1-amine?
The IUPAC name of butan-1-amine (CID 8007) is butan-1-amine.
What is the SMILES notation for butan-1-amine?
The canonical SMILES for butan-1-amine is CCCCN.
What is the InChIKey of butan-1-amine?
The InChIKey is HQABUPZFAYXKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3.
What are the key properties of butan-1-amine?
butan-1-amine has a molecular weight of 73.14 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine is sourced from PubChem (CID 8007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).