6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine

C15H19N3 — CID 81133138

IUPAC6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine
SMILESCc1ccc(N)c(NCCCc2ccccc2)n1
InChIInChI=1S/C15H19N3/c1-12-9-10-14(16)15(18-12)17-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11,16H2,1H3,(H,17,18)
InChIKeyHNYFAEVRIOBFBS-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.02
Rot. Bonds5

About 6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine

6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine (PubChem CID 81133138) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine
PubChem CID81133138
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine
SMILESCc1ccc(N)c(NCCCc2ccccc2)n1
InChIInChI=1S/C15H19N3/c1-12-9-10-14(16)15(18-12)17-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11,16H2,1H3,(H,17,18)
InChIKeyHNYFAEVRIOBFBS-UHFFFAOYSA-N
XLogP3.02
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.02
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-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]-2-phenylacetamide
CID 82331250
6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine
CID 81131859
5-[(3-amino-6-methyl-2-pyridinyl)amino]pentan-1-ol
CID 82057663
2-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54931234
2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80986988
6-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2,3-diamine
CID 114139240
6-methyl-2-(2-phenylethyl)pyridin-3-amine
CID 161474326
6-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 81132933
6-methyl-2-N-(2-phenylpropyl)pyridine-2,3-diamine
CID 104591310
2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide
CID 81132077
6-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 81131882
6-methyl-2-N-phenylpyridine-2,3-diamine
CID 79003921

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine?
The IUPAC name of 6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine (CID 81133138) is 6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine?
The canonical SMILES for 6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine is Cc1ccc(N)c(NCCCc2ccccc2)n1.
What is the InChIKey of 6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine?
The InChIKey is HNYFAEVRIOBFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-12-9-10-14(16)15(18-12)17-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11,16H2,1H3,(H,17,18).
What are the key properties of 6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine?
6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine has a molecular weight of 241.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine is sourced from PubChem (CID 81133138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).