(1Z,3Z)-1-(5-methyl-1,2-dihydropyridin-6-yl)hexa-1,3-dien-3-amine

C12H18N2 — CID 90231344

IUPAC(1Z,3Z)-1-(5-methyl-1,2-dihydropyridin-6-yl)hexa-1,3-dien-3-amine
SMILESCC/C=C(N)/C=C\C1=C(C)C=CCN1
InChIInChI=1S/C12H18N2/c1-3-5-11(13)7-8-12-10(2)6-4-9-14-12/h4-8,14H,3,9,13H2,1-2H3/b8-7-,11-5-
InChIKeyZLUPSDSEMPRCAE-RNNYEWFJSA-N
MW190.29 g/mol
LogP2.23
Rot. Bonds3

About (1Z,3Z)-1-(5-methyl-1,2-dihydropyridin-6-yl)hexa-1,3-dien-3-amine

(1Z,3Z)-1-(5-methyl-1,2-dihydropyridin-6-yl)hexa-1,3-dien-3-amine (PubChem CID 90231344) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (1Z,3Z)-1-(5-methyl-1,2-dihydropyridin-6-yl)hexa-1,3-dien-3-amine.

Molecular Properties

Compound Name(1Z,3Z)-1-(5-methyl-1,2-dihydropyridin-6-yl)hexa-1,3-dien-3-amine
PubChem CID90231344
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(1Z,3Z)-1-(5-methyl-1,2-dihydropyridin-6-yl)hexa-1,3-dien-3-amine
SMILESCC/C=C(N)/C=C\C1=C(C)C=CCN1
InChIInChI=1S/C12H18N2/c1-3-5-11(13)7-8-12-10(2)6-4-9-14-12/h4-8,14H,3,9,13H2,1-2H3/b8-7-,11-5-
InChIKeyZLUPSDSEMPRCAE-RNNYEWFJSA-N
XLogP2.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
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 (1Z,3Z)-1-(5-methyl-1,2-dihydropyridin-6-yl)hexa-1,3-dien-3-amine?
The IUPAC name of (1Z,3Z)-1-(5-methyl-1,2-dihydropyridin-6-yl)hexa-1,3-dien-3-amine (CID 90231344) is (1Z,3Z)-1-(5-methyl-1,2-dihydropyridin-6-yl)hexa-1,3-dien-3-amine.
What is the SMILES notation for (1Z,3Z)-1-(5-methyl-1,2-dihydropyridin-6-yl)hexa-1,3-dien-3-amine?
The canonical SMILES for (1Z,3Z)-1-(5-methyl-1,2-dihydropyridin-6-yl)hexa-1,3-dien-3-amine is CC/C=C(N)/C=C\C1=C(C)C=CCN1.
What is the InChIKey of (1Z,3Z)-1-(5-methyl-1,2-dihydropyridin-6-yl)hexa-1,3-dien-3-amine?
The InChIKey is ZLUPSDSEMPRCAE-RNNYEWFJSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-5-11(13)7-8-12-10(2)6-4-9-14-12/h4-8,14H,3,9,13H2,1-2H3/b8-7-,11-5-.
What are the key properties of (1Z,3Z)-1-(5-methyl-1,2-dihydropyridin-6-yl)hexa-1,3-dien-3-amine?
(1Z,3Z)-1-(5-methyl-1,2-dihydropyridin-6-yl)hexa-1,3-dien-3-amine has a molecular weight of 190.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-(5-methyl-1,2-dihydropyridin-6-yl)hexa-1,3-dien-3-amine is sourced from PubChem (CID 90231344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).