3-methylbutan-2-amine

C5H13N — CID 11731

IUPAC3-methylbutan-2-amine
SMILESCC(C)C(C)N
InChIInChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3
InChIKeyJOZZAIIGWFLONA-UHFFFAOYSA-N
MW87.17 g/mol
LogP0.99
Rot. Bonds1

About 3-methylbutan-2-amine

3-methylbutan-2-amine (PubChem CID 11731) has the molecular formula C5H13N and a molecular weight of 87.17 g/mol. Its IUPAC name is 3-methylbutan-2-amine.

Molecular Properties

Compound Name3-methylbutan-2-amine
PubChem CID11731
Molecular FormulaC5H13N
Molecular Weight87.17 g/mol
Exact Mass87.10
IUPAC Name3-methylbutan-2-amine
SMILESCC(C)C(C)N
InChIInChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3
InChIKeyJOZZAIIGWFLONA-UHFFFAOYSA-N
XLogP0.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.17
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Sec-Butylamine
CID 24874
Isoamylamine
CID 7894
Isobutylamine
CID 6558
2-Methylbutylamine
CID 7283
1,3-Dimethylbutylamine
CID 7908
2-Butanamine, (S)-
CID 6713753
3-Pentanamine, 2,4-dimethyl-
CID 77702
2-Methylbutylamine, (S)-
CID 2724272
2-Butanamine, 3,3-dimethyl-
CID 520907
(R)-sec-butylamine
CID 2724537
(2R)-4-methylpentan-2-amine
CID 642324
Isobutylammonium
CID 3041751

Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-2-amine?
The IUPAC name of 3-methylbutan-2-amine (CID 11731) is 3-methylbutan-2-amine.
What is the SMILES notation for 3-methylbutan-2-amine?
The canonical SMILES for 3-methylbutan-2-amine is CC(C)C(C)N.
What is the InChIKey of 3-methylbutan-2-amine?
The InChIKey is JOZZAIIGWFLONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3.
What are the key properties of 3-methylbutan-2-amine?
3-methylbutan-2-amine has a molecular weight of 87.17 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-2-amine is sourced from PubChem (CID 11731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).