5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine

C11H18N2 — CID 156720532

IUPAC5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine
SMILESCCC/C=C(\C)C1=CN=C(N)CC1
InChIInChI=1S/C11H18N2/c1-3-4-5-9(2)10-6-7-11(12)13-8-10/h5,8H,3-4,6-7H2,1-2H3,(H2,12,13)/b9-5+
InChIKeyWJHUTCGYTVNQOY-WEVVVXLNSA-N
MW178.28 g/mol
LogP2.77
Rot. Bonds3

About 5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine

5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine (PubChem CID 156720532) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine.

Molecular Properties

Compound Name5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine
PubChem CID156720532
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine
SMILESCCC/C=C(\C)C1=CN=C(N)CC1
InChIInChI=1S/C11H18N2/c1-3-4-5-9(2)10-6-7-11(12)13-8-10/h5,8H,3-4,6-7H2,1-2H3,(H2,12,13)/b9-5+
InChIKeyWJHUTCGYTVNQOY-WEVVVXLNSA-N
XLogP2.77
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine?
The IUPAC name of 5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine (CID 156720532) is 5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine.
What is the SMILES notation for 5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine?
The canonical SMILES for 5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine is CCC/C=C(\C)C1=CN=C(N)CC1.
What is the InChIKey of 5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine?
The InChIKey is WJHUTCGYTVNQOY-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-4-5-9(2)10-6-7-11(12)13-8-10/h5,8H,3-4,6-7H2,1-2H3,(H2,12,13)/b9-5+.
What are the key properties of 5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine?
5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine has a molecular weight of 178.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-hex-2-en-2-yl]-3,4-dihydropyridin-2-amine is sourced from PubChem (CID 156720532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).