5-N-methyl-5-N-(oxolan-2-ylmethyl)-3-N-propylpyridine-3,5-diamine

C14H23N3O — CID 104533314

IUPAC5-N-methyl-5-N-(oxolan-2-ylmethyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(N(C)CC2CCCO2)c1
InChIInChI=1S/C14H23N3O/c1-3-6-16-12-8-13(10-15-9-12)17(2)11-14-5-4-7-18-14/h8-10,14,16H,3-7,11H2,1-2H3
InChIKeyMPBPBONXWHQNIR-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.52
Rot. Bonds6

About 5-N-methyl-5-N-(oxolan-2-ylmethyl)-3-N-propylpyridine-3,5-diamine

5-N-methyl-5-N-(oxolan-2-ylmethyl)-3-N-propylpyridine-3,5-diamine (PubChem CID 104533314) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-N-methyl-5-N-(oxolan-2-ylmethyl)-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-(oxolan-2-ylmethyl)-3-N-propylpyridine-3,5-diamine
PubChem CID104533314
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name5-N-methyl-5-N-(oxolan-2-ylmethyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(N(C)CC2CCCO2)c1
InChIInChI=1S/C14H23N3O/c1-3-6-16-12-8-13(10-15-9-12)17(2)11-14-5-4-7-18-14/h8-10,14,16H,3-7,11H2,1-2H3
InChIKeyMPBPBONXWHQNIR-UHFFFAOYSA-N
XLogP2.52
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-N-methyl-5-N-(oxolan-2-ylmethyl)-3-N-propylpyridine-3,5-diamine 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-N-methyl-5-N-[2-(oxolan-2-yl)ethyl]pyridine-3,5-diamine
CID 104533904
3-N-methyl-5-N-(oxolan-2-ylmethyl)pyridine-3,5-diamine
CID 104532738
6-N-ethyl-2-N-methyl-2-N-(oxolan-2-ylmethyl)pyrazine-2,6-diamine
CID 79771132
N-methyl-N-(oxolan-2-ylmethyl)-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939352
4-N,6-dimethyl-4-N-(oxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796286
N-methyl-N-(oxolan-2-ylmethyl)-6-(propylaminomethyl)pyridazin-3-amine
CID 62294783
N-methyl-N-(oxan-2-ylmethyl)-4-[1-(propylamino)ethyl]aniline
CID 61432333
5-N-methyl-3-N-propyl-5-N-(3,3,3-trifluoropropyl)pyridine-3,5-diamine
CID 104535065
5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine
CID 104534597
N-methyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine
CID 55059023
5-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62207861
5-N-methyl-5-N-(2-methylsulfonylethyl)-3-N-propylpyridine-3,5-diamine
CID 113424154

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-(oxolan-2-ylmethyl)-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-methyl-5-N-(oxolan-2-ylmethyl)-3-N-propylpyridine-3,5-diamine (CID 104533314) is 5-N-methyl-5-N-(oxolan-2-ylmethyl)-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-(oxolan-2-ylmethyl)-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-(oxolan-2-ylmethyl)-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(N(C)CC2CCCO2)c1.
What is the InChIKey of 5-N-methyl-5-N-(oxolan-2-ylmethyl)-3-N-propylpyridine-3,5-diamine?
The InChIKey is MPBPBONXWHQNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-6-16-12-8-13(10-15-9-12)17(2)11-14-5-4-7-18-14/h8-10,14,16H,3-7,11H2,1-2H3.
What are the key properties of 5-N-methyl-5-N-(oxolan-2-ylmethyl)-3-N-propylpyridine-3,5-diamine?
5-N-methyl-5-N-(oxolan-2-ylmethyl)-3-N-propylpyridine-3,5-diamine has a molecular weight of 249.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-(oxolan-2-ylmethyl)-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104533314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).