(3Z,5Z,7E)-3-methyl-7-pyridin-2-ylnona-3,5,7-trien-4-amine

C15H20N2 — CID 142517601

IUPAC(3Z,5Z,7E)-3-methyl-7-pyridin-2-ylnona-3,5,7-trien-4-amine
SMILESC/C=C(/C=C\C(N)=C(/C)CC)c1ccccn1
InChIInChI=1S/C15H20N2/c1-4-12(3)14(16)10-9-13(5-2)15-8-6-7-11-17-15/h5-11H,4,16H2,1-3H3/b10-9-,13-5-,14-12-
InChIKeyOMNWQKXSJAQFEU-PZVKLRQYSA-N
MW228.34 g/mol
LogP3.68
Rot. Bonds4

About (3Z,5Z,7E)-3-methyl-7-pyridin-2-ylnona-3,5,7-trien-4-amine

(3Z,5Z,7E)-3-methyl-7-pyridin-2-ylnona-3,5,7-trien-4-amine (PubChem CID 142517601) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (3Z,5Z,7E)-3-methyl-7-pyridin-2-ylnona-3,5,7-trien-4-amine.

Molecular Properties

Compound Name(3Z,5Z,7E)-3-methyl-7-pyridin-2-ylnona-3,5,7-trien-4-amine
PubChem CID142517601
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(3Z,5Z,7E)-3-methyl-7-pyridin-2-ylnona-3,5,7-trien-4-amine
SMILESC/C=C(/C=C\C(N)=C(/C)CC)c1ccccn1
InChIInChI=1S/C15H20N2/c1-4-12(3)14(16)10-9-13(5-2)15-8-6-7-11-17-15/h5-11H,4,16H2,1-3H3/b10-9-,13-5-,14-12-
InChIKeyOMNWQKXSJAQFEU-PZVKLRQYSA-N
XLogP3.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.68
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-[(2Z,4E)-hepta-2,4-dien-4-yl]pyridine
CID 145320713
2-[(3Z)-penta-1,3-dien-3-yl]pyridine
CID 147592446
(E)-1-pyridin-2-ylprop-1-en-1-amine
CID 55290780
2-[(Z)-pent-2-en-2-yl]pyridine
CID 45079825
2-[[(3Z,5E)-5-pyridin-2-ylhepta-1,3,5-trien-2-yl]oxymethyl]-1,3-thiazole
CID 142517592
N'-methyl-N-[(Z)-2-methyl-1-pyridin-2-ylbut-1-enyl]iminomethanimidamide
CID 146506890
2-(4-phenylbut-2-en-2-yl)pyridine
CID 175479491
1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
CID 89479479
3-chloro-N-[(E)-2-methyl-1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]but-1-enyl]benzamide
CID 142517695
ethene;4-methoxy-N-[(E)-2-methyl-1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]but-1-enyl]benzamide
CID 142517519
N,N-dimethylcyclohexanamine;(3Z,5E)-5-pyridin-2-ylhepta-1,3,5-trien-2-ol
CID 142517482
(E)-2-pyridin-2-ylprop-1-en-1-amine
CID 22861961

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,7E)-3-methyl-7-pyridin-2-ylnona-3,5,7-trien-4-amine?
The IUPAC name of (3Z,5Z,7E)-3-methyl-7-pyridin-2-ylnona-3,5,7-trien-4-amine (CID 142517601) is (3Z,5Z,7E)-3-methyl-7-pyridin-2-ylnona-3,5,7-trien-4-amine.
What is the SMILES notation for (3Z,5Z,7E)-3-methyl-7-pyridin-2-ylnona-3,5,7-trien-4-amine?
The canonical SMILES for (3Z,5Z,7E)-3-methyl-7-pyridin-2-ylnona-3,5,7-trien-4-amine is C/C=C(/C=C\C(N)=C(/C)CC)c1ccccn1.
What is the InChIKey of (3Z,5Z,7E)-3-methyl-7-pyridin-2-ylnona-3,5,7-trien-4-amine?
The InChIKey is OMNWQKXSJAQFEU-PZVKLRQYSA-N. The full InChI is InChI=1S/C15H20N2/c1-4-12(3)14(16)10-9-13(5-2)15-8-6-7-11-17-15/h5-11H,4,16H2,1-3H3/b10-9-,13-5-,14-12-.
What are the key properties of (3Z,5Z,7E)-3-methyl-7-pyridin-2-ylnona-3,5,7-trien-4-amine?
(3Z,5Z,7E)-3-methyl-7-pyridin-2-ylnona-3,5,7-trien-4-amine has a molecular weight of 228.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7E)-3-methyl-7-pyridin-2-ylnona-3,5,7-trien-4-amine is sourced from PubChem (CID 142517601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).