2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine

C20H32N4 — CID 159685342

IUPAC2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCc1cccnc1.CC(C)(C)NCc1ccncc1
InChIInChI=1S/2C10H16N2/c1-10(2,3)12-8-9-4-6-11-7-5-9;1-10(2,3)12-8-9-5-4-6-11-7-9/h2*4-7,12H,8H2,1-3H3
InChIKeyMVSJSWSTVPXUKU-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.94
Rot. Bonds4

About 2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine

2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine (PubChem CID 159685342) has the molecular formula C20H32N4 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine
PubChem CID159685342
Molecular FormulaC20H32N4
Molecular Weight328.50 g/mol
Exact Mass328.26
IUPAC Name2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCc1cccnc1.CC(C)(C)NCc1ccncc1
InChIInChI=1S/2C10H16N2/c1-10(2,3)12-8-9-4-6-11-7-5-9;1-10(2,3)12-8-9-5-4-6-11-7-9/h2*4-7,12H,8H2,1-3H3
InChIKeyMVSJSWSTVPXUKU-UHFFFAOYSA-N
XLogP3.94
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-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

1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
2-methyl-N-[(4-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 63069645
2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine;hydrochloride
CID 6463081
4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 105073020
2-methyl-N-[[2-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109062
1-chloro-2-phenyl-N-(pyridin-3-ylmethyl)propan-2-amine
CID 105059503
4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893591
2,3-dimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine;dihydrochloride
CID 119934808
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
N-methyl-1-pyridin-3-ylmethanamine;hydrochloride
CID 17290665
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
N-benzyl-2-methylpropan-2-amine;guanidine
CID 161475592

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine?
The IUPAC name of 2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine (CID 159685342) is 2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine?
The canonical SMILES for 2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine is CC(C)(C)NCc1cccnc1.CC(C)(C)NCc1ccncc1.
What is the InChIKey of 2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine?
The InChIKey is MVSJSWSTVPXUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H16N2/c1-10(2,3)12-8-9-4-6-11-7-5-9;1-10(2,3)12-8-9-5-4-6-11-7-9/h2*4-7,12H,8H2,1-3H3.
What are the key properties of 2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine?
2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine has a molecular weight of 328.50 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 159685342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).