3-methylbutan-1-amine

C5H13N — CID 7894

IUPAC3-methylbutan-1-amine
SMILESCC(C)CCN
InChIInChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3
InChIKeyBMFVGAAISNGQNM-UHFFFAOYSA-N
MW87.17 g/mol
LogP0.99
Rot. Bonds2

About 3-methylbutan-1-amine

3-methylbutan-1-amine (PubChem CID 7894) has the molecular formula C5H13N and a molecular weight of 87.17 g/mol. Its IUPAC name is 3-methylbutan-1-amine.

Molecular Properties

Compound Name3-methylbutan-1-amine
PubChem CID7894
Molecular FormulaC5H13N
Molecular Weight87.17 g/mol
Exact Mass87.10
IUPAC Name3-methylbutan-1-amine
SMILESCC(C)CCN
InChIInChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3
InChIKeyBMFVGAAISNGQNM-UHFFFAOYSA-N
XLogP0.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

Butylamine
CID 8007
Isobutylamine
CID 6558
1,2-Dimethylpropylamine
CID 11731
2-Methylbutylamine
CID 7283
2-Ethyl butylamine
CID 12049
Isohexylamine
CID 219608
1-Butanamine, 3-methyl-, hydrochloride (1:1)
CID 10922
2-Methylbutylamine, (S)-
CID 2724272
1-Pentanamine, 2-methyl-
CID 99014
Isobutylammonium
CID 3041751
1,2-Dimethylpropylamine, (R)-
CID 6999786
(3-Methylpentyl)Amine
CID 3055957

Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-1-amine?
The IUPAC name of 3-methylbutan-1-amine (CID 7894) is 3-methylbutan-1-amine.
What is the SMILES notation for 3-methylbutan-1-amine?
The canonical SMILES for 3-methylbutan-1-amine is CC(C)CCN.
What is the InChIKey of 3-methylbutan-1-amine?
The InChIKey is BMFVGAAISNGQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3.
What are the key properties of 3-methylbutan-1-amine?
3-methylbutan-1-amine has a molecular weight of 87.17 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-1-amine is sourced from PubChem (CID 7894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).