butan-2-amine

C4H11N — CID 24874

IUPACbutan-2-amine
SMILESCCC(C)N
InChIInChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3
InChIKeyBHRZNVHARXXAHW-UHFFFAOYSA-N
MW73.14 g/mol
LogP0.74
Rot. Bonds1

About butan-2-amine

butan-2-amine (PubChem CID 24874) has the molecular formula C4H11N and a molecular weight of 73.14 g/mol. Its IUPAC name is butan-2-amine.

Molecular Properties

Compound Namebutan-2-amine
PubChem CID24874
Molecular FormulaC4H11N
Molecular Weight73.14 g/mol
Exact Mass73.09
IUPAC Namebutan-2-amine
SMILESCCC(C)N
InChIInChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3
InChIKeyBHRZNVHARXXAHW-UHFFFAOYSA-N
XLogP0.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.14
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butan-2-amine?
The IUPAC name of butan-2-amine (CID 24874) is butan-2-amine.
What is the SMILES notation for butan-2-amine?
The canonical SMILES for butan-2-amine is CCC(C)N.
What is the InChIKey of butan-2-amine?
The InChIKey is BHRZNVHARXXAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3.
What are the key properties of butan-2-amine?
butan-2-amine has a molecular weight of 73.14 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-amine is sourced from PubChem (CID 24874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).