5-[(E)-3-methyliminobut-1-enyl]pyridin-2-amine

C10H13N3 — CID 123864550

IUPAC5-[(E)-3-methyliminobut-1-enyl]pyridin-2-amine
SMILESC/N=C(C)/C=C/c1ccc(N)nc1
InChIInChI=1S/C10H13N3/c1-8(12-2)3-4-9-5-6-10(11)13-7-9/h3-7H,1-2H3,(H2,11,13)/b4-3+,12-8+
InChIKeyIUZBOJICWWXGTM-ALUKSYHCSA-N
MW175.23 g/mol
LogP1.77
Rot. Bonds2

About 5-[(E)-3-methyliminobut-1-enyl]pyridin-2-amine

5-[(E)-3-methyliminobut-1-enyl]pyridin-2-amine (PubChem CID 123864550) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-[(E)-3-methyliminobut-1-enyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(E)-3-methyliminobut-1-enyl]pyridin-2-amine
PubChem CID123864550
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name5-[(E)-3-methyliminobut-1-enyl]pyridin-2-amine
SMILESC/N=C(C)/C=C/c1ccc(N)nc1
InChIInChI=1S/C10H13N3/c1-8(12-2)3-4-9-5-6-10(11)13-7-9/h3-7H,1-2H3,(H2,11,13)/b4-3+,12-8+
InChIKeyIUZBOJICWWXGTM-ALUKSYHCSA-N
XLogP1.77
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(E)-3-methyliminobut-1-enyl]pyridin-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

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-methyliminobut-1-enyl]pyridin-2-amine?
The IUPAC name of 5-[(E)-3-methyliminobut-1-enyl]pyridin-2-amine (CID 123864550) is 5-[(E)-3-methyliminobut-1-enyl]pyridin-2-amine.
What is the SMILES notation for 5-[(E)-3-methyliminobut-1-enyl]pyridin-2-amine?
The canonical SMILES for 5-[(E)-3-methyliminobut-1-enyl]pyridin-2-amine is C/N=C(C)/C=C/c1ccc(N)nc1.
What is the InChIKey of 5-[(E)-3-methyliminobut-1-enyl]pyridin-2-amine?
The InChIKey is IUZBOJICWWXGTM-ALUKSYHCSA-N. The full InChI is InChI=1S/C10H13N3/c1-8(12-2)3-4-9-5-6-10(11)13-7-9/h3-7H,1-2H3,(H2,11,13)/b4-3+,12-8+.
What are the key properties of 5-[(E)-3-methyliminobut-1-enyl]pyridin-2-amine?
5-[(E)-3-methyliminobut-1-enyl]pyridin-2-amine has a molecular weight of 175.23 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-methyliminobut-1-enyl]pyridin-2-amine is sourced from PubChem (CID 123864550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).