2,6-dimethyl-5-(2-methylpent-2-enyl)-3,4-dihydropyridine

C13H21N — CID 123697183

IUPAC2,6-dimethyl-5-(2-methylpent-2-enyl)-3,4-dihydropyridine
SMILESCCC=C(C)CC1=C(C)N=C(C)CC1
InChIInChI=1S/C13H21N/c1-5-6-10(2)9-13-8-7-11(3)14-12(13)4/h6H,5,7-9H2,1-4H3
InChIKeyNXOTYNQUIQSJIP-UHFFFAOYSA-N
MW191.32 g/mol
LogP4.26
Rot. Bonds3

About 2,6-dimethyl-5-(2-methylpent-2-enyl)-3,4-dihydropyridine

2,6-dimethyl-5-(2-methylpent-2-enyl)-3,4-dihydropyridine (PubChem CID 123697183) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2,6-dimethyl-5-(2-methylpent-2-enyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2,6-dimethyl-5-(2-methylpent-2-enyl)-3,4-dihydropyridine
PubChem CID123697183
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2,6-dimethyl-5-(2-methylpent-2-enyl)-3,4-dihydropyridine
SMILESCCC=C(C)CC1=C(C)N=C(C)CC1
InChIInChI=1S/C13H21N/c1-5-6-10(2)9-13-8-7-11(3)14-12(13)4/h6H,5,7-9H2,1-4H3
InChIKeyNXOTYNQUIQSJIP-UHFFFAOYSA-N
XLogP4.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-hept-3-en-4-yl]heptan-4-imine
CID 135049490
2,6-Dimethyl-4-propyl-3,4-dihydropyridine
CID 57200011
2,5,6-Trimethyl-3,4-dihydropyridine
CID 88990187
5-Butyl-6-methyl-2,3-dihydropyridine
CID 89109547
3-methyl-N-(2-methylcyclohexen-1-yl)but-3-en-2-imine
CID 89291326
3-ethyl-2,8,9-trimethyl-5,6-dihydro-4H-azonine
CID 90771096
2,3,7,8-Tetramethyl-4,5-dihydroazocine
CID 90771622
N,3-dimethylcyclohex-2-en-1-imine
CID 90782444
(E)-N,3-dimethyloct-2-en-4-imine
CID 91148159
2,6-dimethyl-4,5-dihydro-3H-cyclopenta[b]pyridine
CID 91472797
N-[(2E)-3-methylhepta-2,6-dien-2-yl]propan-2-imine
CID 118081519
N-(1-cyclohexylideneethyl)pentan-2-imine
CID 123216517

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-(2-methylpent-2-enyl)-3,4-dihydropyridine?
The IUPAC name of 2,6-dimethyl-5-(2-methylpent-2-enyl)-3,4-dihydropyridine (CID 123697183) is 2,6-dimethyl-5-(2-methylpent-2-enyl)-3,4-dihydropyridine.
What is the SMILES notation for 2,6-dimethyl-5-(2-methylpent-2-enyl)-3,4-dihydropyridine?
The canonical SMILES for 2,6-dimethyl-5-(2-methylpent-2-enyl)-3,4-dihydropyridine is CCC=C(C)CC1=C(C)N=C(C)CC1.
What is the InChIKey of 2,6-dimethyl-5-(2-methylpent-2-enyl)-3,4-dihydropyridine?
The InChIKey is NXOTYNQUIQSJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-5-6-10(2)9-13-8-7-11(3)14-12(13)4/h6H,5,7-9H2,1-4H3.
What are the key properties of 2,6-dimethyl-5-(2-methylpent-2-enyl)-3,4-dihydropyridine?
2,6-dimethyl-5-(2-methylpent-2-enyl)-3,4-dihydropyridine has a molecular weight of 191.32 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-(2-methylpent-2-enyl)-3,4-dihydropyridine is sourced from PubChem (CID 123697183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).