N,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline

C18H25N3 — CID 105146242

IUPACN,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline
SMILESCCCNC(c1ccc(N(C)C)cc1)c1ccc(C)nc1
InChIInChI=1S/C18H25N3/c1-5-12-19-18(16-7-6-14(2)20-13-16)15-8-10-17(11-9-15)21(3)4/h6-11,13,18-19H,5,12H2,1-4H3
InChIKeyLKSNXZGWZWDBPP-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.55
Rot. Bonds6

About N,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline

N,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline (PubChem CID 105146242) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline
PubChem CID105146242
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline
SMILESCCCNC(c1ccc(N(C)C)cc1)c1ccc(C)nc1
InChIInChI=1S/C18H25N3/c1-5-12-19-18(16-7-6-14(2)20-13-16)15-8-10-17(11-9-15)21(3)4/h6-11,13,18-19H,5,12H2,1-4H3
InChIKeyLKSNXZGWZWDBPP-UHFFFAOYSA-N
XLogP3.55
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline 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-[(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 63155815
N-[(4-ethylsulfanylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 106849296
4-[(4-chlorophenyl)-(propylamino)methyl]-N,N-dimethylaniline
CID 105076350
N-[(3-bromo-4-chlorophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115567849
N-[(3-chloro-4-fluorophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 63155972
N-[(2-iodophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854533
N-[(2,6-difluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854881
N-[(6-methyl-3-pyridinyl)-(4-propylphenyl)methyl]ethanamine
CID 105144382
3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 63155465
N-[(5-chloro-2-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854575
N-[(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 82902794
N-[(4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105183147

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline (CID 105146242) is N,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline is CCCNC(c1ccc(N(C)C)cc1)c1ccc(C)nc1.
What is the InChIKey of N,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline?
The InChIKey is LKSNXZGWZWDBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-5-12-19-18(16-7-6-14(2)20-13-16)15-8-10-17(11-9-15)21(3)4/h6-11,13,18-19H,5,12H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline?
N,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline has a molecular weight of 283.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline is sourced from PubChem (CID 105146242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).