(3Z)-3-(3-ethylpentylidene)-6-methyl-4,5-dihydro-2H-pyridine

C13H23N — CID 146364941

IUPAC(3Z)-3-(3-ethylpentylidene)-6-methyl-4,5-dihydro-2H-pyridine
SMILESCCC(CC)C/C=C1/CCC(C)=NC1
InChIInChI=1S/C13H23N/c1-4-12(5-2)8-9-13-7-6-11(3)14-10-13/h9,12H,4-8,10H2,1-3H3/b13-9-
InChIKeyBRIXYCVNDPXPPA-LCYFTJDESA-N
MW193.33 g/mol
LogP3.99
Rot. Bonds4

About (3Z)-3-(3-ethylpentylidene)-6-methyl-4,5-dihydro-2H-pyridine

(3Z)-3-(3-ethylpentylidene)-6-methyl-4,5-dihydro-2H-pyridine (PubChem CID 146364941) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (3Z)-3-(3-ethylpentylidene)-6-methyl-4,5-dihydro-2H-pyridine.

Molecular Properties

Compound Name(3Z)-3-(3-ethylpentylidene)-6-methyl-4,5-dihydro-2H-pyridine
PubChem CID146364941
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(3Z)-3-(3-ethylpentylidene)-6-methyl-4,5-dihydro-2H-pyridine
SMILESCCC(CC)C/C=C1/CCC(C)=NC1
InChIInChI=1S/C13H23N/c1-4-12(5-2)8-9-13-7-6-11(3)14-10-13/h9,12H,4-8,10H2,1-3H3/b13-9-
InChIKeyBRIXYCVNDPXPPA-LCYFTJDESA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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-(3-ethylpentylidene)-6-methyl-4,5-dihydro-2H-pyridine?
The IUPAC name of (3Z)-3-(3-ethylpentylidene)-6-methyl-4,5-dihydro-2H-pyridine (CID 146364941) is (3Z)-3-(3-ethylpentylidene)-6-methyl-4,5-dihydro-2H-pyridine.
What is the SMILES notation for (3Z)-3-(3-ethylpentylidene)-6-methyl-4,5-dihydro-2H-pyridine?
The canonical SMILES for (3Z)-3-(3-ethylpentylidene)-6-methyl-4,5-dihydro-2H-pyridine is CCC(CC)C/C=C1/CCC(C)=NC1.
What is the InChIKey of (3Z)-3-(3-ethylpentylidene)-6-methyl-4,5-dihydro-2H-pyridine?
The InChIKey is BRIXYCVNDPXPPA-LCYFTJDESA-N. The full InChI is InChI=1S/C13H23N/c1-4-12(5-2)8-9-13-7-6-11(3)14-10-13/h9,12H,4-8,10H2,1-3H3/b13-9-.
What are the key properties of (3Z)-3-(3-ethylpentylidene)-6-methyl-4,5-dihydro-2H-pyridine?
(3Z)-3-(3-ethylpentylidene)-6-methyl-4,5-dihydro-2H-pyridine has a molecular weight of 193.33 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(3-ethylpentylidene)-6-methyl-4,5-dihydro-2H-pyridine is sourced from PubChem (CID 146364941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).