2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine

C12H21N3 — CID 104740128

IUPAC2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine
SMILESCC(C)C(C)CNCc1ncccc1N
InChIInChI=1S/C12H21N3/c1-9(2)10(3)7-14-8-12-11(13)5-4-6-15-12/h4-6,9-10,14H,7-8,13H2,1-3H3
InChIKeyWZLVBYFALIVFNO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.05
Rot. Bonds5

About 2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine

2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine (PubChem CID 104740128) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine
PubChem CID104740128
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine
SMILESCC(C)C(C)CNCc1ncccc1N
InChIInChI=1S/C12H21N3/c1-9(2)10(3)7-14-8-12-11(13)5-4-6-15-12/h4-6,9-10,14H,7-8,13H2,1-3H3
InChIKeyWZLVBYFALIVFNO-UHFFFAOYSA-N
XLogP2.05
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2,3-dimethylbutylamino)methyl]pyridin-3-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-[(2,3-dimethylbutylamino)methyl]aniline
CID 64596728
2-[(5-methylhexylamino)methyl]pyridin-3-amine
CID 104740216
2,3-dimethyl-N-(pyrimidin-2-ylmethyl)butan-1-amine
CID 64570932
2-[(2-methoxyethylamino)methyl]pyridin-3-amine
CID 104740028
2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine
CID 104740080
2-[(heptan-2-ylamino)methyl]pyridin-3-amine
CID 104739927
2-[[(1-methylcyclopentyl)amino]methyl]pyridin-3-amine
CID 104740135
2-[(3-fluoroanilino)methyl]pyridin-3-amine
CID 105470902
2-[[benzyl(propan-2-yl)amino]methyl]pyridin-3-amine
CID 104739694
2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 63305875
2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-amine
CID 104739891
methyl 2-[(2,3,3-trimethylbutylamino)methyl]pyridine-3-carboxylate
CID 114198781

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine?
The IUPAC name of 2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine (CID 104740128) is 2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine.
What is the SMILES notation for 2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine?
The canonical SMILES for 2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine is CC(C)C(C)CNCc1ncccc1N.
What is the InChIKey of 2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine?
The InChIKey is WZLVBYFALIVFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)10(3)7-14-8-12-11(13)5-4-6-15-12/h4-6,9-10,14H,7-8,13H2,1-3H3.
What are the key properties of 2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine?
2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine has a molecular weight of 207.32 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine is sourced from PubChem (CID 104740128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).