2-methyl-1-N-[2-(1-pyridin-3-ylethenylamino)ethyl]benzene-1,4-diamine

C16H20N4 — CID 166820906

IUPAC2-methyl-1-N-[2-(1-pyridin-3-ylethenylamino)ethyl]benzene-1,4-diamine
SMILESC=C(NCCNc1ccc(N)cc1C)c1cccnc1
InChIInChI=1S/C16H20N4/c1-12-10-15(17)5-6-16(12)20-9-8-19-13(2)14-4-3-7-18-11-14/h3-7,10-11,19-20H,2,8-9,17H2,1H3
InChIKeyZZLOYCYAHGDKIF-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.64
Rot. Bonds6

About 2-methyl-1-N-[2-(1-pyridin-3-ylethenylamino)ethyl]benzene-1,4-diamine

2-methyl-1-N-[2-(1-pyridin-3-ylethenylamino)ethyl]benzene-1,4-diamine (PubChem CID 166820906) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methyl-1-N-[2-(1-pyridin-3-ylethenylamino)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-1-N-[2-(1-pyridin-3-ylethenylamino)ethyl]benzene-1,4-diamine
PubChem CID166820906
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-methyl-1-N-[2-(1-pyridin-3-ylethenylamino)ethyl]benzene-1,4-diamine
SMILESC=C(NCCNc1ccc(N)cc1C)c1cccnc1
InChIInChI=1S/C16H20N4/c1-12-10-15(17)5-6-16(12)20-9-8-19-13(2)14-4-3-7-18-11-14/h3-7,10-11,19-20H,2,8-9,17H2,1H3
InChIKeyZZLOYCYAHGDKIF-UHFFFAOYSA-N
XLogP2.64
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-methylanilino)ethanol;hydrate
CID 70505046
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
N-(4-amino-2-methylphenyl)pyridine-3-sulfonamide
CID 24696951
3-(4-amino-2-methylanilino)propanoate
CID 23104650
N-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705466
3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid
CID 55107885
2-chloro-1-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine
CID 55026530
3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide
CID 63210058
5-amino-2-(2-methoxyethylamino)-N-(pyridin-3-ylmethyl)benzamide;ethene
CID 168952712
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
5-amino-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 61290785
3-(4-amino-2-methylanilino)-2,2-difluoropropan-1-ol
CID 106167522

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-[2-(1-pyridin-3-ylethenylamino)ethyl]benzene-1,4-diamine?
The IUPAC name of 2-methyl-1-N-[2-(1-pyridin-3-ylethenylamino)ethyl]benzene-1,4-diamine (CID 166820906) is 2-methyl-1-N-[2-(1-pyridin-3-ylethenylamino)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-1-N-[2-(1-pyridin-3-ylethenylamino)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2-methyl-1-N-[2-(1-pyridin-3-ylethenylamino)ethyl]benzene-1,4-diamine is C=C(NCCNc1ccc(N)cc1C)c1cccnc1.
What is the InChIKey of 2-methyl-1-N-[2-(1-pyridin-3-ylethenylamino)ethyl]benzene-1,4-diamine?
The InChIKey is ZZLOYCYAHGDKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12-10-15(17)5-6-16(12)20-9-8-19-13(2)14-4-3-7-18-11-14/h3-7,10-11,19-20H,2,8-9,17H2,1H3.
What are the key properties of 2-methyl-1-N-[2-(1-pyridin-3-ylethenylamino)ethyl]benzene-1,4-diamine?
2-methyl-1-N-[2-(1-pyridin-3-ylethenylamino)ethyl]benzene-1,4-diamine has a molecular weight of 268.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-[2-(1-pyridin-3-ylethenylamino)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 166820906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).