3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine

C16H27N3O — CID 62469581

IUPAC3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CN(C)CC1CCCCO1
InChIInChI=1S/C16H27N3O/c1-3-9-17-16-14(7-6-10-18-16)12-19(2)13-15-8-4-5-11-20-15/h6-7,10,15H,3-5,8-9,11-13H2,1-2H3,(H,17,18)
InChIKeyOWISCFQDAJIXRE-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.90
Rot. Bonds7

About 3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine

3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine (PubChem CID 62469581) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
PubChem CID62469581
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CN(C)CC1CCCCO1
InChIInChI=1S/C16H27N3O/c1-3-9-17-16-14(7-6-10-18-16)12-19(2)13-15-8-4-5-11-20-15/h6-7,10,15H,3-5,8-9,11-13H2,1-2H3,(H,17,18)
InChIKeyOWISCFQDAJIXRE-UHFFFAOYSA-N
XLogP2.90
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-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

3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 62469789
3-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 63633007
3-[[methyl(oxan-4-yl)amino]methyl]-N-propylpyridin-2-amine
CID 62471186
3-[[methyl-(2-methylcyclohexyl)amino]methyl]-N-propylpyridin-2-amine
CID 62464664
3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 107401430
2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol
CID 102636827
2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591938
5-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62207861
3-[[1-cyclopropylethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472252
2-(ethylamino)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 62179768
N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86825135
N-methyl-N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103305237

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine (CID 62469581) is 3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine is CCCNc1ncccc1CN(C)CC1CCCCO1.
What is the InChIKey of 3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine?
The InChIKey is OWISCFQDAJIXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-9-17-16-14(7-6-10-18-16)12-19(2)13-15-8-4-5-11-20-15/h6-7,10,15H,3-5,8-9,11-13H2,1-2H3,(H,17,18).
What are the key properties of 3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine?
3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62469581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).