5-ethyl-1-methyl-6-propan-2-yl-2,3-dihydropyridine-6-carbonitrile

C12H20N2 — CID 12581473

IUPAC5-ethyl-1-methyl-6-propan-2-yl-2,3-dihydropyridine-6-carbonitrile
SMILESCCC1=CCCN(C)C1(C#N)C(C)C
InChIInChI=1S/C12H20N2/c1-5-11-7-6-8-14(4)12(11,9-13)10(2)3/h7,10H,5-6,8H2,1-4H3
InChIKeyVXZLNUCORBQJJO-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.58
Rot. Bonds2

About 5-ethyl-1-methyl-6-propan-2-yl-2,3-dihydropyridine-6-carbonitrile

5-ethyl-1-methyl-6-propan-2-yl-2,3-dihydropyridine-6-carbonitrile (PubChem CID 12581473) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 5-ethyl-1-methyl-6-propan-2-yl-2,3-dihydropyridine-6-carbonitrile.

Molecular Properties

Compound Name5-ethyl-1-methyl-6-propan-2-yl-2,3-dihydropyridine-6-carbonitrile
PubChem CID12581473
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name5-ethyl-1-methyl-6-propan-2-yl-2,3-dihydropyridine-6-carbonitrile
SMILESCCC1=CCCN(C)C1(C#N)C(C)C
InChIInChI=1S/C12H20N2/c1-5-11-7-6-8-14(4)12(11,9-13)10(2)3/h7,10H,5-6,8H2,1-4H3
InChIKeyVXZLNUCORBQJJO-UHFFFAOYSA-N
XLogP2.58
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-ethyl-1-methyl-6-propan-2-yl-2,3-dihydropyridine-6-carbonitrile?
The IUPAC name of 5-ethyl-1-methyl-6-propan-2-yl-2,3-dihydropyridine-6-carbonitrile (CID 12581473) is 5-ethyl-1-methyl-6-propan-2-yl-2,3-dihydropyridine-6-carbonitrile.
What is the SMILES notation for 5-ethyl-1-methyl-6-propan-2-yl-2,3-dihydropyridine-6-carbonitrile?
The canonical SMILES for 5-ethyl-1-methyl-6-propan-2-yl-2,3-dihydropyridine-6-carbonitrile is CCC1=CCCN(C)C1(C#N)C(C)C.
What is the InChIKey of 5-ethyl-1-methyl-6-propan-2-yl-2,3-dihydropyridine-6-carbonitrile?
The InChIKey is VXZLNUCORBQJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-11-7-6-8-14(4)12(11,9-13)10(2)3/h7,10H,5-6,8H2,1-4H3.
What are the key properties of 5-ethyl-1-methyl-6-propan-2-yl-2,3-dihydropyridine-6-carbonitrile?
5-ethyl-1-methyl-6-propan-2-yl-2,3-dihydropyridine-6-carbonitrile has a molecular weight of 192.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-6-propan-2-yl-2,3-dihydropyridine-6-carbonitrile is sourced from PubChem (CID 12581473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).