N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine

C17H23N3 — CID 62293758

IUPACN-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1ccc(N(C)c2ccccc2C)nc1
InChIInChI=1S/C17H23N3/c1-4-11-18-12-15-9-10-17(19-13-15)20(3)16-8-6-5-7-14(16)2/h5-10,13,18H,4,11-12H2,1-3H3
InChIKeyLIWUEMOFWDARFT-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.66
Rot. Bonds6

About N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine

N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine (PubChem CID 62293758) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
PubChem CID62293758
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1ccc(N(C)c2ccccc2C)nc1
InChIInChI=1S/C17H23N3/c1-4-11-18-12-15-9-10-17(19-13-15)20(3)16-8-6-5-7-14(16)2/h5-10,13,18H,4,11-12H2,1-3H3
InChIKeyLIWUEMOFWDARFT-UHFFFAOYSA-N
XLogP3.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 62293001
N-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 62293723
N-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 62285989
N-methyl-N-(2-methylphenyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62294632
3-fluoro-N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)aniline
CID 106532630
N-(2-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62294818
N-methyl-N-[(2-methylcyclopropyl)methyl]-5-(propylaminomethyl)pyridin-2-amine
CID 63864727
N-cyclopropyl-N-ethyl-5-(propylaminomethyl)pyridin-2-amine
CID 62279551
N,4-dimethyl-N-(2-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766679
N-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630091
N-ethyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630604
N-methyl-5-(methylaminomethyl)-N-(2-methylphenyl)pyrimidin-2-amine
CID 113388189

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine (CID 62293758) is N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine is CCCNCc1ccc(N(C)c2ccccc2C)nc1.
What is the InChIKey of N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine?
The InChIKey is LIWUEMOFWDARFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-4-11-18-12-15-9-10-17(19-13-15)20(3)16-8-6-5-7-14(16)2/h5-10,13,18H,4,11-12H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine?
N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62293758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).