(1Z,3Z)-5-methylidene-7-pyridin-2-ylhepta-1,3-dien-1-amine

C13H16N2 — CID 89098917

IUPAC(1Z,3Z)-5-methylidene-7-pyridin-2-ylhepta-1,3-dien-1-amine
SMILESC=C(/C=C\C=C/N)CCc1ccccn1
InChIInChI=1S/C13H16N2/c1-12(6-2-4-10-14)8-9-13-7-3-5-11-15-13/h2-7,10-11H,1,8-9,14H2/b6-2-,10-4-
InChIKeyVSELFJQRFUVMES-QPUPAZQPSA-N
MW200.28 g/mol
LogP2.60
Rot. Bonds5

About (1Z,3Z)-5-methylidene-7-pyridin-2-ylhepta-1,3-dien-1-amine

(1Z,3Z)-5-methylidene-7-pyridin-2-ylhepta-1,3-dien-1-amine (PubChem CID 89098917) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (1Z,3Z)-5-methylidene-7-pyridin-2-ylhepta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-methylidene-7-pyridin-2-ylhepta-1,3-dien-1-amine
PubChem CID89098917
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name(1Z,3Z)-5-methylidene-7-pyridin-2-ylhepta-1,3-dien-1-amine
SMILESC=C(/C=C\C=C/N)CCc1ccccn1
InChIInChI=1S/C13H16N2/c1-12(6-2-4-10-14)8-9-13-7-3-5-11-15-13/h2-7,10-11H,1,8-9,14H2/b6-2-,10-4-
InChIKeyVSELFJQRFUVMES-QPUPAZQPSA-N
XLogP2.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.60
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

ethane;2-ethylpyridine;(2Z,4Z)-6-methylideneocta-2,4-diene
CID 143599197
2-[[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]sulfanylmethyl]pyridine
CID 144892259
ethane;2-[(3Z,5E)-6-methyl-2-methylidene-7-pyridin-2-ylhepta-3,5-dienyl]pyridine
CID 172578813
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
3-pyridin-2-ylpropanoyl chloride;hydrochloride
CID 87464337
2-[(2E,5Z,7Z)-4-methylidene-2-propylidenenona-5,7-dienyl]pyridine
CID 126606807
2-oct-7-enylpyridine
CID 57031977
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
ethane;pyridin-2-ylmethanamine
CID 90791011
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
CID 11833051
CID 11833051
N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-2-pyridin-2-ylacetamide
CID 144928583

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-5-methylidene-7-pyridin-2-ylhepta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-5-methylidene-7-pyridin-2-ylhepta-1,3-dien-1-amine (CID 89098917) is (1Z,3Z)-5-methylidene-7-pyridin-2-ylhepta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-methylidene-7-pyridin-2-ylhepta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-5-methylidene-7-pyridin-2-ylhepta-1,3-dien-1-amine is C=C(/C=C\C=C/N)CCc1ccccn1.
What is the InChIKey of (1Z,3Z)-5-methylidene-7-pyridin-2-ylhepta-1,3-dien-1-amine?
The InChIKey is VSELFJQRFUVMES-QPUPAZQPSA-N. The full InChI is InChI=1S/C13H16N2/c1-12(6-2-4-10-14)8-9-13-7-3-5-11-15-13/h2-7,10-11H,1,8-9,14H2/b6-2-,10-4-.
What are the key properties of (1Z,3Z)-5-methylidene-7-pyridin-2-ylhepta-1,3-dien-1-amine?
(1Z,3Z)-5-methylidene-7-pyridin-2-ylhepta-1,3-dien-1-amine has a molecular weight of 200.28 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-methylidene-7-pyridin-2-ylhepta-1,3-dien-1-amine is sourced from PubChem (CID 89098917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).