ethane;2-propan-2-yl-3,4-dihydropyridine

C10H19N — CID 170579308

IUPACethane;2-propan-2-yl-3,4-dihydropyridine
SMILESCC.CC(C)C1=NC=CCC1
InChIInChI=1S/C8H13N.C2H6/c1-7(2)8-5-3-4-6-9-8;1-2/h4,6-7H,3,5H2,1-2H3;1-2H3
InChIKeyIPGGPIUDMPRXJF-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.42
Rot. Bonds1

About ethane;2-propan-2-yl-3,4-dihydropyridine

ethane;2-propan-2-yl-3,4-dihydropyridine (PubChem CID 170579308) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is ethane;2-propan-2-yl-3,4-dihydropyridine.

Molecular Properties

Compound Nameethane;2-propan-2-yl-3,4-dihydropyridine
PubChem CID170579308
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Nameethane;2-propan-2-yl-3,4-dihydropyridine
SMILESCC.CC(C)C1=NC=CCC1
InChIInChI=1S/C8H13N.C2H6/c1-7(2)8-5-3-4-6-9-8;1-2/h4,6-7H,3,5H2,1-2H3;1-2H3
InChIKeyIPGGPIUDMPRXJF-UHFFFAOYSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-Fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine
CID 141419498
5-Fluoro-2-propan-2-yl-3,4-dihydropyridine
CID 145484234
3-Fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine
CID 154991486
2-Ethyl-5-fluoro-4-methyl-3,4-dihydropyridine
CID 156207077
2,4-Dimethyl-4-ethylpyridine
CID 129809879
Azabicyclo[3.2.1]octadiene
CID 129817585
2-Methyl-4-(trifluoromethyl)-3,4-dihydropyridine
CID 152829510
4-Ethenyl-2-(trifluoromethyl)-3,4-dihydropyridine
CID 162611849
2-Ethyl-3,4-dihydropyridine
CID 14979253
2-Propan-2-yl-3,4-dihydropyridine
CID 14979254
4,5,6,7-tetrahydro-3aH-indole
CID 20614425
2-methyl-3-propyl-3H-pyrrole
CID 20806847

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-3,4-dihydropyridine?
The IUPAC name of ethane;2-propan-2-yl-3,4-dihydropyridine (CID 170579308) is ethane;2-propan-2-yl-3,4-dihydropyridine.
What is the SMILES notation for ethane;2-propan-2-yl-3,4-dihydropyridine?
The canonical SMILES for ethane;2-propan-2-yl-3,4-dihydropyridine is CC.CC(C)C1=NC=CCC1.
What is the InChIKey of ethane;2-propan-2-yl-3,4-dihydropyridine?
The InChIKey is IPGGPIUDMPRXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C2H6/c1-7(2)8-5-3-4-6-9-8;1-2/h4,6-7H,3,5H2,1-2H3;1-2H3.
What are the key properties of ethane;2-propan-2-yl-3,4-dihydropyridine?
ethane;2-propan-2-yl-3,4-dihydropyridine has a molecular weight of 153.27 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-3,4-dihydropyridine is sourced from PubChem (CID 170579308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).