5-[(1Z,4E)-4-[2-(methylamino)ethyl]hexa-1,4-dienyl]-1,2,3,4-tetrahydropyridin-6-amine

C14H25N3 — CID 143997981

IUPAC5-[(1Z,4E)-4-[2-(methylamino)ethyl]hexa-1,4-dienyl]-1,2,3,4-tetrahydropyridin-6-amine
SMILESC/C=C(\C/C=C\C1=C(N)NCCC1)CCNC
InChIInChI=1S/C14H25N3/c1-3-12(9-11-16-2)6-4-7-13-8-5-10-17-14(13)15/h3-4,7,16-17H,5-6,8-11,15H2,1-2H3/b7-4-,12-3+
InChIKeyDWBMNGJCSPTHJO-PEFLUEAXSA-N
MW235.37 g/mol
LogP2.04
Rot. Bonds6

About 5-[(1Z,4E)-4-[2-(methylamino)ethyl]hexa-1,4-dienyl]-1,2,3,4-tetrahydropyridin-6-amine

5-[(1Z,4E)-4-[2-(methylamino)ethyl]hexa-1,4-dienyl]-1,2,3,4-tetrahydropyridin-6-amine (PubChem CID 143997981) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-[(1Z,4E)-4-[2-(methylamino)ethyl]hexa-1,4-dienyl]-1,2,3,4-tetrahydropyridin-6-amine.

Molecular Properties

Compound Name5-[(1Z,4E)-4-[2-(methylamino)ethyl]hexa-1,4-dienyl]-1,2,3,4-tetrahydropyridin-6-amine
PubChem CID143997981
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name5-[(1Z,4E)-4-[2-(methylamino)ethyl]hexa-1,4-dienyl]-1,2,3,4-tetrahydropyridin-6-amine
SMILESC/C=C(\C/C=C\C1=C(N)NCCC1)CCNC
InChIInChI=1S/C14H25N3/c1-3-12(9-11-16-2)6-4-7-13-8-5-10-17-14(13)15/h3-4,7,16-17H,5-6,8-11,15H2,1-2H3/b7-4-,12-3+
InChIKeyDWBMNGJCSPTHJO-PEFLUEAXSA-N
XLogP2.04
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1Z,4E)-4-[2-(methylamino)ethyl]hexa-1,4-dienyl]-1,2,3,4-tetrahydropyridin-6-amine?
The IUPAC name of 5-[(1Z,4E)-4-[2-(methylamino)ethyl]hexa-1,4-dienyl]-1,2,3,4-tetrahydropyridin-6-amine (CID 143997981) is 5-[(1Z,4E)-4-[2-(methylamino)ethyl]hexa-1,4-dienyl]-1,2,3,4-tetrahydropyridin-6-amine.
What is the SMILES notation for 5-[(1Z,4E)-4-[2-(methylamino)ethyl]hexa-1,4-dienyl]-1,2,3,4-tetrahydropyridin-6-amine?
The canonical SMILES for 5-[(1Z,4E)-4-[2-(methylamino)ethyl]hexa-1,4-dienyl]-1,2,3,4-tetrahydropyridin-6-amine is C/C=C(\C/C=C\C1=C(N)NCCC1)CCNC.
What is the InChIKey of 5-[(1Z,4E)-4-[2-(methylamino)ethyl]hexa-1,4-dienyl]-1,2,3,4-tetrahydropyridin-6-amine?
The InChIKey is DWBMNGJCSPTHJO-PEFLUEAXSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-12(9-11-16-2)6-4-7-13-8-5-10-17-14(13)15/h3-4,7,16-17H,5-6,8-11,15H2,1-2H3/b7-4-,12-3+.
What are the key properties of 5-[(1Z,4E)-4-[2-(methylamino)ethyl]hexa-1,4-dienyl]-1,2,3,4-tetrahydropyridin-6-amine?
5-[(1Z,4E)-4-[2-(methylamino)ethyl]hexa-1,4-dienyl]-1,2,3,4-tetrahydropyridin-6-amine has a molecular weight of 235.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z,4E)-4-[2-(methylamino)ethyl]hexa-1,4-dienyl]-1,2,3,4-tetrahydropyridin-6-amine is sourced from PubChem (CID 143997981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).