3-N-methyl-5-N-(3-phenylpropyl)pyridine-3,5-diamine

C15H19N3 — CID 113423751

IUPAC3-N-methyl-5-N-(3-phenylpropyl)pyridine-3,5-diamine
SMILESCNc1cncc(NCCCc2ccccc2)c1
InChIInChI=1S/C15H19N3/c1-16-14-10-15(12-17-11-14)18-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12,16,18H,5,8-9H2,1H3
InChIKeyATFNEYKIKYHZID-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.17
Rot. Bonds6

About 3-N-methyl-5-N-(3-phenylpropyl)pyridine-3,5-diamine

3-N-methyl-5-N-(3-phenylpropyl)pyridine-3,5-diamine (PubChem CID 113423751) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-N-methyl-5-N-(3-phenylpropyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-methyl-5-N-(3-phenylpropyl)pyridine-3,5-diamine
PubChem CID113423751
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-N-methyl-5-N-(3-phenylpropyl)pyridine-3,5-diamine
SMILESCNc1cncc(NCCCc2ccccc2)c1
InChIInChI=1S/C15H19N3/c1-16-14-10-15(12-17-11-14)18-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12,16,18H,5,8-9H2,1H3
InChIKeyATFNEYKIKYHZID-UHFFFAOYSA-N
XLogP3.17
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109238757
N-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109239083
4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol
CID 106846876
5-(3-phenylpropoxy)-N-propylpyridin-3-amine
CID 104536691
2-[[5-(methylamino)-3-pyridinyl]amino]ethanol
CID 104532515
5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol
CID 106138149
3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine
CID 104533920
methyl 4-[[5-(3-phenylpropylamino)pyridine-3-carbonyl]amino]benzoate
CID 109239144
N-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109231335
N-(2,4-dimethylphenyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109239101
6-N-methyl-2-N-(2-phenylethyl)pyrazine-2,6-diamine
CID 80778395
5-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-N-methylpyridine-3,5-diamine
CID 104532597

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-5-N-(3-phenylpropyl)pyridine-3,5-diamine?
The IUPAC name of 3-N-methyl-5-N-(3-phenylpropyl)pyridine-3,5-diamine (CID 113423751) is 3-N-methyl-5-N-(3-phenylpropyl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-methyl-5-N-(3-phenylpropyl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-methyl-5-N-(3-phenylpropyl)pyridine-3,5-diamine is CNc1cncc(NCCCc2ccccc2)c1.
What is the InChIKey of 3-N-methyl-5-N-(3-phenylpropyl)pyridine-3,5-diamine?
The InChIKey is ATFNEYKIKYHZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-16-14-10-15(12-17-11-14)18-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12,16,18H,5,8-9H2,1H3.
What are the key properties of 3-N-methyl-5-N-(3-phenylpropyl)pyridine-3,5-diamine?
3-N-methyl-5-N-(3-phenylpropyl)pyridine-3,5-diamine has a molecular weight of 241.34 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-5-N-(3-phenylpropyl)pyridine-3,5-diamine is sourced from PubChem (CID 113423751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).