(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine

C10H16N2 — CID 130856661

IUPAC(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
SMILESCCC(C)[C@H](N)c1cccnc1
InChIInChI=1S/C10H16N2/c1-3-8(2)10(11)9-5-4-6-12-7-9/h4-8,10H,3,11H2,1-2H3/t8?,10-/m0/s1
InChIKeyKPRTWFVRZFWZHR-HTLJXXAVSA-N
MW164.25 g/mol
LogP2.13
Rot. Bonds3

About (1S)-2-methyl-1-pyridin-3-ylbutan-1-amine

(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine (PubChem CID 130856661) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (1S)-2-methyl-1-pyridin-3-ylbutan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
PubChem CID130856661
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
SMILESCCC(C)[C@H](N)c1cccnc1
InChIInChI=1S/C10H16N2/c1-3-8(2)10(11)9-5-4-6-12-7-9/h4-8,10H,3,11H2,1-2H3/t8?,10-/m0/s1
InChIKeyKPRTWFVRZFWZHR-HTLJXXAVSA-N
XLogP2.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-2-methyl-1-pyridin-3-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-pyridin-3-ylpentan-1-amine
CID 115799302
2-methyl-1-pyridin-3-ylpropane-1,3-diamine
CID 116933165
2-methoxy-1-pyridin-3-ylbutan-1-amine
CID 116715099
(1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol
CID 130710949
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
2-methyl-1-pyrimidin-5-ylbutan-1-amine
CID 63719075
(1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride
CID 171200287
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol
CID 116945678
2-ethoxy-1-pyridin-3-ylpentan-1-amine
CID 116717421
2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide
CID 81405246
3-methyl-2-pyridin-3-ylpentanoic acid
CID 80522853

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-pyridin-3-ylbutan-1-amine?
The IUPAC name of (1S)-2-methyl-1-pyridin-3-ylbutan-1-amine (CID 130856661) is (1S)-2-methyl-1-pyridin-3-ylbutan-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-pyridin-3-ylbutan-1-amine?
The canonical SMILES for (1S)-2-methyl-1-pyridin-3-ylbutan-1-amine is CCC(C)[C@H](N)c1cccnc1.
What is the InChIKey of (1S)-2-methyl-1-pyridin-3-ylbutan-1-amine?
The InChIKey is KPRTWFVRZFWZHR-HTLJXXAVSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-8(2)10(11)9-5-4-6-12-7-9/h4-8,10H,3,11H2,1-2H3/t8?,10-/m0/s1.
What are the key properties of (1S)-2-methyl-1-pyridin-3-ylbutan-1-amine?
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine has a molecular weight of 164.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-pyridin-3-ylbutan-1-amine is sourced from PubChem (CID 130856661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).