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

C11H17N3 — CID 135254647

IUPAC(E)-4-(2,3-dimethyl-3,4-dihydropyridin-5-yl)-4-iminobut-2-en-2-amine
SMILES[H]/N=C(\C=C(/C)N)C1=CN=C(C)C(C)C1
InChIInChI=1S/C11H17N3/c1-7-4-10(6-14-9(7)3)11(13)5-8(2)12/h5-7,13H,4,12H2,1-3H3/b8-5+,13-11+
InChIKeyYUVBAACBNPVOJI-PGMBSLALSA-N
MW191.28 g/mol
LogP2.25
Rot. Bonds2

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

(E)-4-(2,3-dimethyl-3,4-dihydropyridin-5-yl)-4-iminobut-2-en-2-amine (PubChem CID 135254647) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (E)-4-(2,3-dimethyl-3,4-dihydropyridin-5-yl)-4-iminobut-2-en-2-amine.

Molecular Properties

Compound Name(E)-4-(2,3-dimethyl-3,4-dihydropyridin-5-yl)-4-iminobut-2-en-2-amine
PubChem CID135254647
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(E)-4-(2,3-dimethyl-3,4-dihydropyridin-5-yl)-4-iminobut-2-en-2-amine
SMILES[H]/N=C(\C=C(/C)N)C1=CN=C(C)C(C)C1
InChIInChI=1S/C11H17N3/c1-7-4-10(6-14-9(7)3)11(13)5-8(2)12/h5-7,13H,4,12H2,1-3H3/b8-5+,13-11+
InChIKeyYUVBAACBNPVOJI-PGMBSLALSA-N
XLogP2.25
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(2,3-dimethyl-3,4-dihydropyridin-5-yl)-4-iminobut-2-en-2-amine?
The IUPAC name of (E)-4-(2,3-dimethyl-3,4-dihydropyridin-5-yl)-4-iminobut-2-en-2-amine (CID 135254647) is (E)-4-(2,3-dimethyl-3,4-dihydropyridin-5-yl)-4-iminobut-2-en-2-amine.
What is the SMILES notation for (E)-4-(2,3-dimethyl-3,4-dihydropyridin-5-yl)-4-iminobut-2-en-2-amine?
The canonical SMILES for (E)-4-(2,3-dimethyl-3,4-dihydropyridin-5-yl)-4-iminobut-2-en-2-amine is [H]/N=C(\C=C(/C)N)C1=CN=C(C)C(C)C1.
What is the InChIKey of (E)-4-(2,3-dimethyl-3,4-dihydropyridin-5-yl)-4-iminobut-2-en-2-amine?
The InChIKey is YUVBAACBNPVOJI-PGMBSLALSA-N. The full InChI is InChI=1S/C11H17N3/c1-7-4-10(6-14-9(7)3)11(13)5-8(2)12/h5-7,13H,4,12H2,1-3H3/b8-5+,13-11+.
What are the key properties of (E)-4-(2,3-dimethyl-3,4-dihydropyridin-5-yl)-4-iminobut-2-en-2-amine?
(E)-4-(2,3-dimethyl-3,4-dihydropyridin-5-yl)-4-iminobut-2-en-2-amine has a molecular weight of 191.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,3-dimethyl-3,4-dihydropyridin-5-yl)-4-iminobut-2-en-2-amine is sourced from PubChem (CID 135254647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).