(1Z,3E)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)penta-1,3-dien-1-amine

C11H18N2 — CID 143084618

IUPAC(1Z,3E)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)penta-1,3-dien-1-amine
SMILESC/C=C(\C=C/N)C1=CCN(C)CC1
InChIInChI=1S/C11H18N2/c1-3-10(4-7-12)11-5-8-13(2)9-6-11/h3-5,7H,6,8-9,12H2,1-2H3/b7-4-,10-3+
InChIKeyHUKMULKVOLPQPH-PZPRPFQRSA-N
MW178.28 g/mol
LogP1.67
Rot. Bonds2

About (1Z,3E)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)penta-1,3-dien-1-amine

(1Z,3E)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)penta-1,3-dien-1-amine (PubChem CID 143084618) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (1Z,3E)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)penta-1,3-dien-1-amine
PubChem CID143084618
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(1Z,3E)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)penta-1,3-dien-1-amine
SMILESC/C=C(\C=C/N)C1=CCN(C)CC1
InChIInChI=1S/C11H18N2/c1-3-10(4-7-12)11-5-8-13(2)9-6-11/h3-5,7H,6,8-9,12H2,1-2H3/b7-4-,10-3+
InChIKeyHUKMULKVOLPQPH-PZPRPFQRSA-N
XLogP1.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
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,3E)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)penta-1,3-dien-1-amine (CID 143084618) is (1Z,3E)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)penta-1,3-dien-1-amine is C/C=C(\C=C/N)C1=CCN(C)CC1.
What is the InChIKey of (1Z,3E)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)penta-1,3-dien-1-amine?
The InChIKey is HUKMULKVOLPQPH-PZPRPFQRSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-10(4-7-12)11-5-8-13(2)9-6-11/h3-5,7H,6,8-9,12H2,1-2H3/b7-4-,10-3+.
What are the key properties of (1Z,3E)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)penta-1,3-dien-1-amine?
(1Z,3E)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)penta-1,3-dien-1-amine has a molecular weight of 178.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)penta-1,3-dien-1-amine is sourced from PubChem (CID 143084618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).