(3E,5E)-6-(1,2,3,6-tetrahydropyridin-4-yl)hexa-1,3,5-trien-3-amine

C11H16N2 — CID 88875884

IUPAC(3E,5E)-6-(1,2,3,6-tetrahydropyridin-4-yl)hexa-1,3,5-trien-3-amine
SMILESC=C/C(N)=C\C=C\C1=CCNCC1
InChIInChI=1S/C11H16N2/c1-2-11(12)5-3-4-10-6-8-13-9-7-10/h2-6,13H,1,7-9,12H2/b4-3+,11-5+
InChIKeyANPPRXHHWOBYAX-ZHBGKXFASA-N
MW176.26 g/mol
LogP1.49
Rot. Bonds3

About (3E,5E)-6-(1,2,3,6-tetrahydropyridin-4-yl)hexa-1,3,5-trien-3-amine

(3E,5E)-6-(1,2,3,6-tetrahydropyridin-4-yl)hexa-1,3,5-trien-3-amine (PubChem CID 88875884) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (3E,5E)-6-(1,2,3,6-tetrahydropyridin-4-yl)hexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5E)-6-(1,2,3,6-tetrahydropyridin-4-yl)hexa-1,3,5-trien-3-amine
PubChem CID88875884
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(3E,5E)-6-(1,2,3,6-tetrahydropyridin-4-yl)hexa-1,3,5-trien-3-amine
SMILESC=C/C(N)=C\C=C\C1=CCNCC1
InChIInChI=1S/C11H16N2/c1-2-11(12)5-3-4-10-6-8-13-9-7-10/h2-6,13H,1,7-9,12H2/b4-3+,11-5+
InChIKeyANPPRXHHWOBYAX-ZHBGKXFASA-N
XLogP1.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.49
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 (3E,5E)-6-(1,2,3,6-tetrahydropyridin-4-yl)hexa-1,3,5-trien-3-amine?
The IUPAC name of (3E,5E)-6-(1,2,3,6-tetrahydropyridin-4-yl)hexa-1,3,5-trien-3-amine (CID 88875884) is (3E,5E)-6-(1,2,3,6-tetrahydropyridin-4-yl)hexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5E)-6-(1,2,3,6-tetrahydropyridin-4-yl)hexa-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5E)-6-(1,2,3,6-tetrahydropyridin-4-yl)hexa-1,3,5-trien-3-amine is C=C/C(N)=C\C=C\C1=CCNCC1.
What is the InChIKey of (3E,5E)-6-(1,2,3,6-tetrahydropyridin-4-yl)hexa-1,3,5-trien-3-amine?
The InChIKey is ANPPRXHHWOBYAX-ZHBGKXFASA-N. The full InChI is InChI=1S/C11H16N2/c1-2-11(12)5-3-4-10-6-8-13-9-7-10/h2-6,13H,1,7-9,12H2/b4-3+,11-5+.
What are the key properties of (3E,5E)-6-(1,2,3,6-tetrahydropyridin-4-yl)hexa-1,3,5-trien-3-amine?
(3E,5E)-6-(1,2,3,6-tetrahydropyridin-4-yl)hexa-1,3,5-trien-3-amine has a molecular weight of 176.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-(1,2,3,6-tetrahydropyridin-4-yl)hexa-1,3,5-trien-3-amine is sourced from PubChem (CID 88875884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).