(ethenylideneamino)-(2-methyl-4-pyridinyl)methanamine

C9H11N3 — CID 143759959

IUPAC(ethenylideneamino)-(2-methyl-4-pyridinyl)methanamine
SMILESC=C=NC(N)c1ccnc(C)c1
InChIInChI=1S/C9H11N3/c1-3-11-9(10)8-4-5-12-7(2)6-8/h4-6,9H,1,10H2,2H3
InChIKeyCZORHOYZRBRRCR-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.20
Rot. Bonds2

About (ethenylideneamino)-(2-methyl-4-pyridinyl)methanamine

(ethenylideneamino)-(2-methyl-4-pyridinyl)methanamine (PubChem CID 143759959) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is (ethenylideneamino)-(2-methyl-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(ethenylideneamino)-(2-methyl-4-pyridinyl)methanamine
PubChem CID143759959
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name(ethenylideneamino)-(2-methyl-4-pyridinyl)methanamine
SMILESC=C=NC(N)c1ccnc(C)c1
InChIInChI=1S/C9H11N3/c1-3-11-9(10)8-4-5-12-7(2)6-8/h4-6,9H,1,10H2,2H3
InChIKeyCZORHOYZRBRRCR-UHFFFAOYSA-N
XLogP1.20
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1S,2R)-2-amino-1-(2-methyl-4-pyridinyl)propan-1-ol
CID 96740451
1-(2-methyl-4-pyridinyl)propan-1-amine
CID 55295377
2-amino-2-(2-methyl-4-pyridinyl)acetaldehyde
CID 87928859
(1S,2S)-1-amino-1-(2-methyl-4-pyridinyl)propan-2-ol
CID 55295314
2-amino-2-(2-methyl-4-pyridinyl)ethanol
CID 55292030
(2S)-2-amino-2-(2-methyl-4-pyridinyl)ethanol
CID 55264047
(2-methyl-4-pyridinyl)-(4-phenylphenyl)methanamine
CID 106755381
(2-methyl-4-pyridinyl)-(5-methylthiophen-2-yl)methanamine
CID 106755531
1-(2-methyl-4-pyridinyl)ethanol
CID 106756390
1-(2-methyl-4-pyridinyl)hex-5-yn-1-amine
CID 106755808
(2,5-difluorophenyl)-(2-methyl-4-pyridinyl)methanamine
CID 106755257
isoquinolin-4-yl-(2-methyl-4-pyridinyl)methanamine
CID 106755324

Frequently Asked Questions

What is the IUPAC name of (ethenylideneamino)-(2-methyl-4-pyridinyl)methanamine?
The IUPAC name of (ethenylideneamino)-(2-methyl-4-pyridinyl)methanamine (CID 143759959) is (ethenylideneamino)-(2-methyl-4-pyridinyl)methanamine.
What is the SMILES notation for (ethenylideneamino)-(2-methyl-4-pyridinyl)methanamine?
The canonical SMILES for (ethenylideneamino)-(2-methyl-4-pyridinyl)methanamine is C=C=NC(N)c1ccnc(C)c1.
What is the InChIKey of (ethenylideneamino)-(2-methyl-4-pyridinyl)methanamine?
The InChIKey is CZORHOYZRBRRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-3-11-9(10)8-4-5-12-7(2)6-8/h4-6,9H,1,10H2,2H3.
What are the key properties of (ethenylideneamino)-(2-methyl-4-pyridinyl)methanamine?
(ethenylideneamino)-(2-methyl-4-pyridinyl)methanamine has a molecular weight of 161.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (ethenylideneamino)-(2-methyl-4-pyridinyl)methanamine is sourced from PubChem (CID 143759959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).