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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Related Compounds

2-[(2-amino-4-pyridinyl)methylidene]propanedinitrile
CID 130054771
ethyl (E)-3-(2-amino-4-pyridinyl)prop-2-enoate
CID 68688040
6-[(1E)-2-methylbuta-1,3-dienyl]-4-pyridin-4-ylquinoline
CID 146180347
3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine
CID 45079882
4-(2-methylbut-3-en-2-yl)pyridin-2-amine
CID 123849208
4-(2-amino-4-pyridinyl)but-3-enenitrile
CID 170799120
S-[3-(2-amino-4-pyridinyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] ethanethioate
CID 170804161
4-(4-ethenylphenyl)pyridin-2-amine
CID 142047543
bis(2-methylbuta-1,3-dienylbenzene);styrene
CID 173409204
1-(2-amino-4-pyridinyl)ethanone
CID 13145258
4-[3-ethenyl-5-methylidene-7-(3-methylphenyl)hepta-3,6-dienyl]pyridin-2-amine
CID 90693248
4-[(E)-3-(4-methylpiperazin-1-yl)prop-1-enyl]pyridin-2-amine
CID 176675924

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).