5-methyl-3,4-di(propan-2-yl)-2,3-dihydropyridine

C12H21N — CID 123369350

IUPAC5-methyl-3,4-di(propan-2-yl)-2,3-dihydropyridine
SMILESCC1=C(C(C)C)C(C(C)C)CN=C1
InChIInChI=1S/C12H21N/c1-8(2)11-7-13-6-10(5)12(11)9(3)4/h6,8-9,11H,7H2,1-5H3
InChIKeyDAFCGVTXQXNZKU-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.32
Rot. Bonds2

About 5-methyl-3,4-di(propan-2-yl)-2,3-dihydropyridine

5-methyl-3,4-di(propan-2-yl)-2,3-dihydropyridine (PubChem CID 123369350) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 5-methyl-3,4-di(propan-2-yl)-2,3-dihydropyridine.

Molecular Properties

Compound Name5-methyl-3,4-di(propan-2-yl)-2,3-dihydropyridine
PubChem CID123369350
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name5-methyl-3,4-di(propan-2-yl)-2,3-dihydropyridine
SMILESCC1=C(C(C)C)C(C(C)C)CN=C1
InChIInChI=1S/C12H21N/c1-8(2)11-7-13-6-10(5)12(11)9(3)4/h6,8-9,11H,7H2,1-5H3
InChIKeyDAFCGVTXQXNZKU-UHFFFAOYSA-N
XLogP3.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200
4,5,6-Tri(propan-2-yl)-2,3-dihydropyridine
CID 58365477
5-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole
CID 58394682
3,6-dimethyl-4-propan-2-yl-3,4-dihydro-2H-azepine
CID 68344127
4-(2,4-dimethylpentan-3-ylidene)-3,5-dihydro-2H-pyridine
CID 68354026
(2Z)-2-ethylidene-N,4-dimethylhexan-1-imine
CID 87981822
1-(5-ethyl-2-methylcyclohexen-1-yl)-N-propylmethanimine
CID 89623742
5-Ethyl-2-heptan-4-yl-2,3-dihydropyridine
CID 90902116
5-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine
CID 91201172
2-butan-2-yl-2,5-dimethyl-3H-pyridine
CID 91332411
N-methyl-2-(2-methylbutyl)hex-2-en-1-imine
CID 91384576
3-Ethyl-4,5-dimethyl-6-(3-methylbutyl)-3,4-dihydropyridine
CID 123463848

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4-di(propan-2-yl)-2,3-dihydropyridine?
The IUPAC name of 5-methyl-3,4-di(propan-2-yl)-2,3-dihydropyridine (CID 123369350) is 5-methyl-3,4-di(propan-2-yl)-2,3-dihydropyridine.
What is the SMILES notation for 5-methyl-3,4-di(propan-2-yl)-2,3-dihydropyridine?
The canonical SMILES for 5-methyl-3,4-di(propan-2-yl)-2,3-dihydropyridine is CC1=C(C(C)C)C(C(C)C)CN=C1.
What is the InChIKey of 5-methyl-3,4-di(propan-2-yl)-2,3-dihydropyridine?
The InChIKey is DAFCGVTXQXNZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-8(2)11-7-13-6-10(5)12(11)9(3)4/h6,8-9,11H,7H2,1-5H3.
What are the key properties of 5-methyl-3,4-di(propan-2-yl)-2,3-dihydropyridine?
5-methyl-3,4-di(propan-2-yl)-2,3-dihydropyridine has a molecular weight of 179.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4-di(propan-2-yl)-2,3-dihydropyridine is sourced from PubChem (CID 123369350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).