(3Z)-3-ethylidene-5,5,6-trimethyl-2-propyl-2,4-dihydropyridine

C13H23N — CID 134426211

IUPAC(3Z)-3-ethylidene-5,5,6-trimethyl-2-propyl-2,4-dihydropyridine
SMILESC/C=C1/CC(C)(C)C(C)=NC1CCC
InChIInChI=1S/C13H23N/c1-6-8-12-11(7-2)9-13(4,5)10(3)14-12/h7,12H,6,8-9H2,1-5H3/b11-7-
InChIKeyIWJAKHGJESRHFX-XFFZJAGNSA-N
MW193.33 g/mol
LogP3.99
Rot. Bonds2

About (3Z)-3-ethylidene-5,5,6-trimethyl-2-propyl-2,4-dihydropyridine

(3Z)-3-ethylidene-5,5,6-trimethyl-2-propyl-2,4-dihydropyridine (PubChem CID 134426211) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (3Z)-3-ethylidene-5,5,6-trimethyl-2-propyl-2,4-dihydropyridine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-5,5,6-trimethyl-2-propyl-2,4-dihydropyridine
PubChem CID134426211
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(3Z)-3-ethylidene-5,5,6-trimethyl-2-propyl-2,4-dihydropyridine
SMILESC/C=C1/CC(C)(C)C(C)=NC1CCC
InChIInChI=1S/C13H23N/c1-6-8-12-11(7-2)9-13(4,5)10(3)14-12/h7,12H,6,8-9H2,1-5H3/b11-7-
InChIKeyIWJAKHGJESRHFX-XFFZJAGNSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-5,5,6-trimethyl-2-propyl-2,4-dihydropyridine?
The IUPAC name of (3Z)-3-ethylidene-5,5,6-trimethyl-2-propyl-2,4-dihydropyridine (CID 134426211) is (3Z)-3-ethylidene-5,5,6-trimethyl-2-propyl-2,4-dihydropyridine.
What is the SMILES notation for (3Z)-3-ethylidene-5,5,6-trimethyl-2-propyl-2,4-dihydropyridine?
The canonical SMILES for (3Z)-3-ethylidene-5,5,6-trimethyl-2-propyl-2,4-dihydropyridine is C/C=C1/CC(C)(C)C(C)=NC1CCC.
What is the InChIKey of (3Z)-3-ethylidene-5,5,6-trimethyl-2-propyl-2,4-dihydropyridine?
The InChIKey is IWJAKHGJESRHFX-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H23N/c1-6-8-12-11(7-2)9-13(4,5)10(3)14-12/h7,12H,6,8-9H2,1-5H3/b11-7-.
What are the key properties of (3Z)-3-ethylidene-5,5,6-trimethyl-2-propyl-2,4-dihydropyridine?
(3Z)-3-ethylidene-5,5,6-trimethyl-2-propyl-2,4-dihydropyridine has a molecular weight of 193.33 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-5,5,6-trimethyl-2-propyl-2,4-dihydropyridine is sourced from PubChem (CID 134426211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).