4-[(1Z)-2-methylbuta-1,3-dienyl]pyridin-2-amine

C10H12N2 — CID 138980431

IUPAC4-[(1Z)-2-methylbuta-1,3-dienyl]pyridin-2-amine
SMILESC=C/C(C)=C\c1ccnc(N)c1
InChIInChI=1S/C10H12N2/c1-3-8(2)6-9-4-5-12-10(11)7-9/h3-7H,1H2,2H3,(H2,11,12)/b8-6-
InChIKeyIVHYVXMXKJQKJR-VURMDHGXSA-N
MW160.22 g/mol
LogP2.25
Rot. Bonds2

About 4-[(1Z)-2-methylbuta-1,3-dienyl]pyridin-2-amine

4-[(1Z)-2-methylbuta-1,3-dienyl]pyridin-2-amine (PubChem CID 138980431) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 4-[(1Z)-2-methylbuta-1,3-dienyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(1Z)-2-methylbuta-1,3-dienyl]pyridin-2-amine
PubChem CID138980431
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name4-[(1Z)-2-methylbuta-1,3-dienyl]pyridin-2-amine
SMILESC=C/C(C)=C\c1ccnc(N)c1
InChIInChI=1S/C10H12N2/c1-3-8(2)6-9-4-5-12-10(11)7-9/h3-7H,1H2,2H3,(H2,11,12)/b8-6-
InChIKeyIVHYVXMXKJQKJR-VURMDHGXSA-N
XLogP2.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-2-methylbuta-1,3-dienyl]pyridin-2-amine?
The IUPAC name of 4-[(1Z)-2-methylbuta-1,3-dienyl]pyridin-2-amine (CID 138980431) is 4-[(1Z)-2-methylbuta-1,3-dienyl]pyridin-2-amine.
What is the SMILES notation for 4-[(1Z)-2-methylbuta-1,3-dienyl]pyridin-2-amine?
The canonical SMILES for 4-[(1Z)-2-methylbuta-1,3-dienyl]pyridin-2-amine is C=C/C(C)=C\c1ccnc(N)c1.
What is the InChIKey of 4-[(1Z)-2-methylbuta-1,3-dienyl]pyridin-2-amine?
The InChIKey is IVHYVXMXKJQKJR-VURMDHGXSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-8(2)6-9-4-5-12-10(11)7-9/h3-7H,1H2,2H3,(H2,11,12)/b8-6-.
What are the key properties of 4-[(1Z)-2-methylbuta-1,3-dienyl]pyridin-2-amine?
4-[(1Z)-2-methylbuta-1,3-dienyl]pyridin-2-amine has a molecular weight of 160.22 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-2-methylbuta-1,3-dienyl]pyridin-2-amine is sourced from PubChem (CID 138980431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).