N-benzyl-N-methyl-4-(propylaminomethyl)pyridin-2-amine

C17H23N3 — CID 62285114

IUPACN-benzyl-N-methyl-4-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1ccnc(N(C)Cc2ccccc2)c1
InChIInChI=1S/C17H23N3/c1-3-10-18-13-16-9-11-19-17(12-16)20(2)14-15-7-5-4-6-8-15/h4-9,11-12,18H,3,10,13-14H2,1-2H3
InChIKeyFGAZFQGRRIRJEX-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.22
Rot. Bonds7

About N-benzyl-N-methyl-4-(propylaminomethyl)pyridin-2-amine

N-benzyl-N-methyl-4-(propylaminomethyl)pyridin-2-amine (PubChem CID 62285114) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-(propylaminomethyl)pyridin-2-amine
PubChem CID62285114
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-benzyl-N-methyl-4-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1ccnc(N(C)Cc2ccccc2)c1
InChIInChI=1S/C17H23N3/c1-3-10-18-13-16-9-11-19-17(12-16)20(2)14-15-7-5-4-6-8-15/h4-9,11-12,18H,3,10,13-14H2,1-2H3
InChIKeyFGAZFQGRRIRJEX-UHFFFAOYSA-N
XLogP3.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-N-methyl-4-(propylaminomethyl)pyridin-2-amine 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

N-methyl-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine
CID 62284795
N-methyl-4-[(2-methylpropylamino)methyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62282252
2-chloro-N-methyl-4-(propylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 81147195
4-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62280809
N-[(2-phenoxy-4-pyridinyl)methyl]propan-1-amine
CID 62296638
4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 62280087
N-ethyl-N-(4-methylphenyl)-4-(propylaminomethyl)pyridin-2-amine
CID 62294939
N-ethyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 55059635
2-chloro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 81147198
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62294613
N-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62289080
N-benzylpropan-1-amine;ethane;propane
CID 145164103

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N-benzyl-N-methyl-4-(propylaminomethyl)pyridin-2-amine (CID 62285114) is N-benzyl-N-methyl-4-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-benzyl-N-methyl-4-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-benzyl-N-methyl-4-(propylaminomethyl)pyridin-2-amine is CCCNCc1ccnc(N(C)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-N-methyl-4-(propylaminomethyl)pyridin-2-amine?
The InChIKey is FGAZFQGRRIRJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-10-18-13-16-9-11-19-17(12-16)20(2)14-15-7-5-4-6-8-15/h4-9,11-12,18H,3,10,13-14H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-4-(propylaminomethyl)pyridin-2-amine?
N-benzyl-N-methyl-4-(propylaminomethyl)pyridin-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62285114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).