(E)-4-(3,4-dihydropyridin-2-yl)hex-4-en-1-amine

C11H18N2 — CID 89188331

IUPAC(E)-4-(3,4-dihydropyridin-2-yl)hex-4-en-1-amine
SMILESC/C=C(\CCCN)C1=NC=CCC1
InChIInChI=1S/C11H18N2/c1-2-10(6-5-8-12)11-7-3-4-9-13-11/h2,4,9H,3,5-8,12H2,1H3/b10-2+
InChIKeyLSRQFNVXCNVCKS-WTDSWWLTSA-N
MW178.28 g/mol
LogP2.42
Rot. Bonds4

About (E)-4-(3,4-dihydropyridin-2-yl)hex-4-en-1-amine

(E)-4-(3,4-dihydropyridin-2-yl)hex-4-en-1-amine (PubChem CID 89188331) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (E)-4-(3,4-dihydropyridin-2-yl)hex-4-en-1-amine.

Molecular Properties

Compound Name(E)-4-(3,4-dihydropyridin-2-yl)hex-4-en-1-amine
PubChem CID89188331
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(E)-4-(3,4-dihydropyridin-2-yl)hex-4-en-1-amine
SMILESC/C=C(\CCCN)C1=NC=CCC1
InChIInChI=1S/C11H18N2/c1-2-10(6-5-8-12)11-7-3-4-9-13-11/h2,4,9H,3,5-8,12H2,1H3/b10-2+
InChIKeyLSRQFNVXCNVCKS-WTDSWWLTSA-N
XLogP2.42
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(3,4-dihydropyridin-2-yl)hex-4-en-1-amine?
The IUPAC name of (E)-4-(3,4-dihydropyridin-2-yl)hex-4-en-1-amine (CID 89188331) is (E)-4-(3,4-dihydropyridin-2-yl)hex-4-en-1-amine.
What is the SMILES notation for (E)-4-(3,4-dihydropyridin-2-yl)hex-4-en-1-amine?
The canonical SMILES for (E)-4-(3,4-dihydropyridin-2-yl)hex-4-en-1-amine is C/C=C(\CCCN)C1=NC=CCC1.
What is the InChIKey of (E)-4-(3,4-dihydropyridin-2-yl)hex-4-en-1-amine?
The InChIKey is LSRQFNVXCNVCKS-WTDSWWLTSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-10(6-5-8-12)11-7-3-4-9-13-11/h2,4,9H,3,5-8,12H2,1H3/b10-2+.
What are the key properties of (E)-4-(3,4-dihydropyridin-2-yl)hex-4-en-1-amine?
(E)-4-(3,4-dihydropyridin-2-yl)hex-4-en-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3,4-dihydropyridin-2-yl)hex-4-en-1-amine is sourced from PubChem (CID 89188331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).