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

C10H16N2 — CID 170054656

IUPAC(E)-3-(2,3-dihydropyridin-4-yl)pent-2-en-2-amine
SMILESCC/C(C1=CC=NCC1)=C(/C)N
InChIInChI=1S/C10H16N2/c1-3-10(8(2)11)9-4-6-12-7-5-9/h4,6H,3,5,7,11H2,1-2H3/b10-8+
InChIKeyQYJNBEDNFZMIPN-CSKARUKUSA-N
MW164.25 g/mol
LogP2.03
Rot. Bonds2

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

(E)-3-(2,3-dihydropyridin-4-yl)pent-2-en-2-amine (PubChem CID 170054656) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (E)-3-(2,3-dihydropyridin-4-yl)pent-2-en-2-amine.

Molecular Properties

Compound Name(E)-3-(2,3-dihydropyridin-4-yl)pent-2-en-2-amine
PubChem CID170054656
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(E)-3-(2,3-dihydropyridin-4-yl)pent-2-en-2-amine
SMILESCC/C(C1=CC=NCC1)=C(/C)N
InChIInChI=1S/C10H16N2/c1-3-10(8(2)11)9-4-6-12-7-5-9/h4,6H,3,5,7,11H2,1-2H3/b10-8+
InChIKeyQYJNBEDNFZMIPN-CSKARUKUSA-N
XLogP2.03
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dihydropyridin-4-yl)pent-2-en-2-amine?
The IUPAC name of (E)-3-(2,3-dihydropyridin-4-yl)pent-2-en-2-amine (CID 170054656) is (E)-3-(2,3-dihydropyridin-4-yl)pent-2-en-2-amine.
What is the SMILES notation for (E)-3-(2,3-dihydropyridin-4-yl)pent-2-en-2-amine?
The canonical SMILES for (E)-3-(2,3-dihydropyridin-4-yl)pent-2-en-2-amine is CC/C(C1=CC=NCC1)=C(/C)N.
What is the InChIKey of (E)-3-(2,3-dihydropyridin-4-yl)pent-2-en-2-amine?
The InChIKey is QYJNBEDNFZMIPN-CSKARUKUSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-10(8(2)11)9-4-6-12-7-5-9/h4,6H,3,5,7,11H2,1-2H3/b10-8+.
What are the key properties of (E)-3-(2,3-dihydropyridin-4-yl)pent-2-en-2-amine?
(E)-3-(2,3-dihydropyridin-4-yl)pent-2-en-2-amine has a molecular weight of 164.25 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dihydropyridin-4-yl)pent-2-en-2-amine is sourced from PubChem (CID 170054656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).