5-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine

C16H21N3 — CID 55046130

IUPAC5-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(CN(C)c2ccc(C)cc2)cn1
InChIInChI=1S/C16H21N3/c1-4-17-16-10-7-14(11-18-16)12-19(3)15-8-5-13(2)6-9-15/h5-11H,4,12H2,1-3H3,(H,17,18)
InChIKeyYFFARZCAQZUZDR-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.46
Rot. Bonds5

About 5-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine

5-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine (PubChem CID 55046130) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine
PubChem CID55046130
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name5-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(CN(C)c2ccc(C)cc2)cn1
InChIInChI=1S/C16H21N3/c1-4-17-16-10-7-14(11-18-16)12-19(3)15-8-5-13(2)6-9-15/h5-11H,4,12H2,1-3H3,(H,17,18)
InChIKeyYFFARZCAQZUZDR-UHFFFAOYSA-N
XLogP3.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 5-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-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-ethyl-5-[(3-fluoro-N-methylanilino)methyl]pyridin-2-amine
CID 62207366
4-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile
CID 62981948
5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylpyridin-2-amine
CID 62183942
5-[[benzyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 55046066
N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]pyridin-2-amine
CID 62189614
6-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine
CID 79243997
N-ethyl-5-[(N-ethyl-3-methylanilino)methyl]pyridin-2-amine
CID 62182436
N-ethyl-5-[(N-ethylanilino)methyl]pyridin-2-amine
CID 62182688
5-[[cycloheptyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 62183656
N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine
CID 55145577
N-ethyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-2-amine
CID 62208787
N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyridin-2-amine
CID 62208080

Frequently Asked Questions

What is the IUPAC name of 5-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 5-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine (CID 55046130) is 5-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 5-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine is CCNc1ccc(CN(C)c2ccc(C)cc2)cn1.
What is the InChIKey of 5-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine?
The InChIKey is YFFARZCAQZUZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-17-16-10-7-14(11-18-16)12-19(3)15-8-5-13(2)6-9-15/h5-11H,4,12H2,1-3H3,(H,17,18).
What are the key properties of 5-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine?
5-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine has a molecular weight of 255.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 55046130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).