(E)-5-(3,4-dihydropyridin-2-yl)hept-5-en-2-amine

C12H20N2 — CID 89271099

IUPAC(E)-5-(3,4-dihydropyridin-2-yl)hept-5-en-2-amine
SMILESC/C=C(\CCC(C)N)C1=NC=CCC1
InChIInChI=1S/C12H20N2/c1-3-11(8-7-10(2)13)12-6-4-5-9-14-12/h3,5,9-10H,4,6-8,13H2,1-2H3/b11-3+
InChIKeyJYHVOZBAXNJRTO-QDEBKDIKSA-N
MW192.31 g/mol
LogP2.81
Rot. Bonds4

About (E)-5-(3,4-dihydropyridin-2-yl)hept-5-en-2-amine

(E)-5-(3,4-dihydropyridin-2-yl)hept-5-en-2-amine (PubChem CID 89271099) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (E)-5-(3,4-dihydropyridin-2-yl)hept-5-en-2-amine.

Molecular Properties

Compound Name(E)-5-(3,4-dihydropyridin-2-yl)hept-5-en-2-amine
PubChem CID89271099
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(E)-5-(3,4-dihydropyridin-2-yl)hept-5-en-2-amine
SMILESC/C=C(\CCC(C)N)C1=NC=CCC1
InChIInChI=1S/C12H20N2/c1-3-11(8-7-10(2)13)12-6-4-5-9-14-12/h3,5,9-10H,4,6-8,13H2,1-2H3/b11-3+
InChIKeyJYHVOZBAXNJRTO-QDEBKDIKSA-N
XLogP2.81
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-5-(3,4-dihydropyridin-2-yl)hept-5-en-2-amine?
The IUPAC name of (E)-5-(3,4-dihydropyridin-2-yl)hept-5-en-2-amine (CID 89271099) is (E)-5-(3,4-dihydropyridin-2-yl)hept-5-en-2-amine.
What is the SMILES notation for (E)-5-(3,4-dihydropyridin-2-yl)hept-5-en-2-amine?
The canonical SMILES for (E)-5-(3,4-dihydropyridin-2-yl)hept-5-en-2-amine is C/C=C(\CCC(C)N)C1=NC=CCC1.
What is the InChIKey of (E)-5-(3,4-dihydropyridin-2-yl)hept-5-en-2-amine?
The InChIKey is JYHVOZBAXNJRTO-QDEBKDIKSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-11(8-7-10(2)13)12-6-4-5-9-14-12/h3,5,9-10H,4,6-8,13H2,1-2H3/b11-3+.
What are the key properties of (E)-5-(3,4-dihydropyridin-2-yl)hept-5-en-2-amine?
(E)-5-(3,4-dihydropyridin-2-yl)hept-5-en-2-amine has a molecular weight of 192.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(3,4-dihydropyridin-2-yl)hept-5-en-2-amine is sourced from PubChem (CID 89271099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).