5-N-methyl-5-N-(4-methylpentan-2-yl)-3-N-propylpyridine-3,5-diamine

C15H27N3 — CID 104533765

IUPAC5-N-methyl-5-N-(4-methylpentan-2-yl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(N(C)C(C)CC(C)C)c1
InChIInChI=1S/C15H27N3/c1-6-7-17-14-9-15(11-16-10-14)18(5)13(4)8-12(2)3/h9-13,17H,6-8H2,1-5H3
InChIKeyIMZLYKFNLGEMSI-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.77
Rot. Bonds7

About 5-N-methyl-5-N-(4-methylpentan-2-yl)-3-N-propylpyridine-3,5-diamine

5-N-methyl-5-N-(4-methylpentan-2-yl)-3-N-propylpyridine-3,5-diamine (PubChem CID 104533765) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-N-methyl-5-N-(4-methylpentan-2-yl)-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-(4-methylpentan-2-yl)-3-N-propylpyridine-3,5-diamine
PubChem CID104533765
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name5-N-methyl-5-N-(4-methylpentan-2-yl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(N(C)C(C)CC(C)C)c1
InChIInChI=1S/C15H27N3/c1-6-7-17-14-9-15(11-16-10-14)18(5)13(4)8-12(2)3/h9-13,17H,6-8H2,1-5H3
InChIKeyIMZLYKFNLGEMSI-UHFFFAOYSA-N
XLogP3.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-N-methyl-5-N-(4-methylpentan-2-yl)-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

5-N-(2-methoxyethyl)-5-N-propan-2-yl-3-N-propylpyridine-3,5-diamine
CID 113424214
3-[propan-2-yl-[5-(propylamino)-3-pyridinyl]amino]propan-1-ol
CID 113423873
5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyridin-3-amine
CID 115657240
3-N,5-N,5-N-tripropylpyridine-3,5-diamine
CID 104532474
5-N-methyl-5-N-(4-methylcyclohexyl)-3-N-propylpyridine-3,5-diamine
CID 104533327
2-[methyl-[5-(propylamino)-3-pyridinyl]amino]ethanol
CID 104532770
5-N-(1-cyclopropylethyl)-3-N-propylpyridine-3,5-diamine
CID 104532953
5-N-cyclopropyl-5-N-(3-methylbutyl)-3-N-propylpyridine-3,5-diamine
CID 104533791
5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine
CID 104533243
5-N-methyl-3-N-propyl-5-N-(3,3,3-trifluoropropyl)pyridine-3,5-diamine
CID 104535065
3-N-ethyl-5-N-methyl-5-N-pentan-3-ylpyridine-3,5-diamine
CID 104533037
N,N-dimethyl-2-[methyl-[5-(propylamino)-3-pyridinyl]amino]acetamide
CID 104532890

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-(4-methylpentan-2-yl)-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-methyl-5-N-(4-methylpentan-2-yl)-3-N-propylpyridine-3,5-diamine (CID 104533765) is 5-N-methyl-5-N-(4-methylpentan-2-yl)-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-(4-methylpentan-2-yl)-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-(4-methylpentan-2-yl)-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(N(C)C(C)CC(C)C)c1.
What is the InChIKey of 5-N-methyl-5-N-(4-methylpentan-2-yl)-3-N-propylpyridine-3,5-diamine?
The InChIKey is IMZLYKFNLGEMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-7-17-14-9-15(11-16-10-14)18(5)13(4)8-12(2)3/h9-13,17H,6-8H2,1-5H3.
What are the key properties of 5-N-methyl-5-N-(4-methylpentan-2-yl)-3-N-propylpyridine-3,5-diamine?
5-N-methyl-5-N-(4-methylpentan-2-yl)-3-N-propylpyridine-3,5-diamine has a molecular weight of 249.40 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-(4-methylpentan-2-yl)-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104533765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).