3-[(Z)-2-methyliminopent-3-enyl]pyridin-2-amine

C11H15N3 — CID 143596497

IUPAC3-[(Z)-2-methyliminopent-3-enyl]pyridin-2-amine
SMILESC/C=C\C(Cc1cccnc1N)=N/C
InChIInChI=1S/C11H15N3/c1-3-5-10(13-2)8-9-6-4-7-14-11(9)12/h3-7H,8H2,1-2H3,(H2,12,14)/b5-3-,13-10+
InChIKeyXBOODMRNTLJFBG-MLJFPUFMSA-N
MW189.26 g/mol
LogP1.85
Rot. Bonds3

About 3-[(Z)-2-methyliminopent-3-enyl]pyridin-2-amine

3-[(Z)-2-methyliminopent-3-enyl]pyridin-2-amine (PubChem CID 143596497) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-[(Z)-2-methyliminopent-3-enyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(Z)-2-methyliminopent-3-enyl]pyridin-2-amine
PubChem CID143596497
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3-[(Z)-2-methyliminopent-3-enyl]pyridin-2-amine
SMILESC/C=C\C(Cc1cccnc1N)=N/C
InChIInChI=1S/C11H15N3/c1-3-5-10(13-2)8-9-6-4-7-14-11(9)12/h3-7H,8H2,1-2H3,(H2,12,14)/b5-3-,13-10+
InChIKeyXBOODMRNTLJFBG-MLJFPUFMSA-N
XLogP1.85
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-methyliminopent-3-enyl]pyridin-2-amine?
The IUPAC name of 3-[(Z)-2-methyliminopent-3-enyl]pyridin-2-amine (CID 143596497) is 3-[(Z)-2-methyliminopent-3-enyl]pyridin-2-amine.
What is the SMILES notation for 3-[(Z)-2-methyliminopent-3-enyl]pyridin-2-amine?
The canonical SMILES for 3-[(Z)-2-methyliminopent-3-enyl]pyridin-2-amine is C/C=C\C(Cc1cccnc1N)=N/C.
What is the InChIKey of 3-[(Z)-2-methyliminopent-3-enyl]pyridin-2-amine?
The InChIKey is XBOODMRNTLJFBG-MLJFPUFMSA-N. The full InChI is InChI=1S/C11H15N3/c1-3-5-10(13-2)8-9-6-4-7-14-11(9)12/h3-7H,8H2,1-2H3,(H2,12,14)/b5-3-,13-10+.
What are the key properties of 3-[(Z)-2-methyliminopent-3-enyl]pyridin-2-amine?
3-[(Z)-2-methyliminopent-3-enyl]pyridin-2-amine has a molecular weight of 189.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-methyliminopent-3-enyl]pyridin-2-amine is sourced from PubChem (CID 143596497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).