(3Z,5Z)-3-(1,2,3,6-tetrahydropyridin-4-yl)hepta-1,3,5-trien-4-amine

C12H18N2 — CID 89222218

IUPAC(3Z,5Z)-3-(1,2,3,6-tetrahydropyridin-4-yl)hepta-1,3,5-trien-4-amine
SMILESC=C/C(C1=CCNCC1)=C(N)\C=C/C
InChIInChI=1S/C12H18N2/c1-3-5-12(13)11(4-2)10-6-8-14-9-7-10/h3-6,14H,2,7-9,13H2,1H3/b5-3-,12-11-
InChIKeyQQJASXWVAIMBNE-BVSOGULUSA-N
MW190.29 g/mol
LogP1.88
Rot. Bonds3

About (3Z,5Z)-3-(1,2,3,6-tetrahydropyridin-4-yl)hepta-1,3,5-trien-4-amine

(3Z,5Z)-3-(1,2,3,6-tetrahydropyridin-4-yl)hepta-1,3,5-trien-4-amine (PubChem CID 89222218) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (3Z,5Z)-3-(1,2,3,6-tetrahydropyridin-4-yl)hepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3Z,5Z)-3-(1,2,3,6-tetrahydropyridin-4-yl)hepta-1,3,5-trien-4-amine
PubChem CID89222218
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(3Z,5Z)-3-(1,2,3,6-tetrahydropyridin-4-yl)hepta-1,3,5-trien-4-amine
SMILESC=C/C(C1=CCNCC1)=C(N)\C=C/C
InChIInChI=1S/C12H18N2/c1-3-5-12(13)11(4-2)10-6-8-14-9-7-10/h3-6,14H,2,7-9,13H2,1H3/b5-3-,12-11-
InChIKeyQQJASXWVAIMBNE-BVSOGULUSA-N
XLogP1.88
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 ≤ 51.88
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 (3Z,5Z)-3-(1,2,3,6-tetrahydropyridin-4-yl)hepta-1,3,5-trien-4-amine?
The IUPAC name of (3Z,5Z)-3-(1,2,3,6-tetrahydropyridin-4-yl)hepta-1,3,5-trien-4-amine (CID 89222218) is (3Z,5Z)-3-(1,2,3,6-tetrahydropyridin-4-yl)hepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3Z,5Z)-3-(1,2,3,6-tetrahydropyridin-4-yl)hepta-1,3,5-trien-4-amine?
The canonical SMILES for (3Z,5Z)-3-(1,2,3,6-tetrahydropyridin-4-yl)hepta-1,3,5-trien-4-amine is C=C/C(C1=CCNCC1)=C(N)\C=C/C.
What is the InChIKey of (3Z,5Z)-3-(1,2,3,6-tetrahydropyridin-4-yl)hepta-1,3,5-trien-4-amine?
The InChIKey is QQJASXWVAIMBNE-BVSOGULUSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-5-12(13)11(4-2)10-6-8-14-9-7-10/h3-6,14H,2,7-9,13H2,1H3/b5-3-,12-11-.
What are the key properties of (3Z,5Z)-3-(1,2,3,6-tetrahydropyridin-4-yl)hepta-1,3,5-trien-4-amine?
(3Z,5Z)-3-(1,2,3,6-tetrahydropyridin-4-yl)hepta-1,3,5-trien-4-amine has a molecular weight of 190.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-(1,2,3,6-tetrahydropyridin-4-yl)hepta-1,3,5-trien-4-amine is sourced from PubChem (CID 89222218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).