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

C16H21N3 — CID 79243997

IUPAC6-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cccc(CN(C)c2ccc(C)cc2)n1
InChIInChI=1S/C16H21N3/c1-4-17-16-7-5-6-14(18-16)12-19(3)15-10-8-13(2)9-11-15/h5-11H,4,12H2,1-3H3,(H,17,18)
InChIKeyIPIFFMOQYRGMNG-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.46
Rot. Bonds5

About 6-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine

6-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine (PubChem CID 79243997) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 6-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine
PubChem CID79243997
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name6-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cccc(CN(C)c2ccc(C)cc2)n1
InChIInChI=1S/C16H21N3/c1-4-17-16-7-5-6-14(18-16)12-19(3)15-10-8-13(2)9-11-15/h5-11H,4,12H2,1-3H3,(H,17,18)
InChIKeyIPIFFMOQYRGMNG-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'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 6-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine (CID 79243997) is 6-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 6-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine is CCNc1cccc(CN(C)c2ccc(C)cc2)n1.
What is the InChIKey of 6-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine?
The InChIKey is IPIFFMOQYRGMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-17-16-7-5-6-14(18-16)12-19(3)15-10-8-13(2)9-11-15/h5-11H,4,12H2,1-3H3,(H,17,18).
What are the key properties of 6-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine?
6-[(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 6-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 79243997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).