ethane;2,3,6-trimethyl-2,3-dihydropyridine

C10H19N — CID 144863717

IUPACethane;2,3,6-trimethyl-2,3-dihydropyridine
SMILESCC.CC1=NC(C)C(C)C=C1
InChIInChI=1S/C8H13N.C2H6/c1-6-4-5-7(2)9-8(6)3;1-2/h4-6,8H,1-3H3;1-2H3
InChIKeyORPKBGGKBNXUFG-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.07
Rot. Bonds

About ethane;2,3,6-trimethyl-2,3-dihydropyridine

ethane;2,3,6-trimethyl-2,3-dihydropyridine (PubChem CID 144863717) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is ethane;2,3,6-trimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Nameethane;2,3,6-trimethyl-2,3-dihydropyridine
PubChem CID144863717
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Nameethane;2,3,6-trimethyl-2,3-dihydropyridine
SMILESCC.CC1=NC(C)C(C)C=C1
InChIInChI=1S/C8H13N.C2H6/c1-6-4-5-7(2)9-8(6)3;1-2/h4-6,8H,1-3H3;1-2H3
InChIKeyORPKBGGKBNXUFG-UHFFFAOYSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-2,3-dihydropyridine-6-carboxylic acid
CID 89210433
6-(2-methoxyethoxy)-2,3-dimethyl-2,3-dihydropyridine
CID 166648845
5-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 142023544
2-[(2S,3Z,5Z)-hepta-3,5-dien-2-yl]-3,6-dimethyl-2,3-dihydropyridine
CID 155372191
2,4,5-trimethyl-4,5-dihydropyrimidine
CID 59701015
2,3,5,6-tetramethyl-2,3-dihydropyridine
CID 123760837
2,5,7-trimethyl-2H-azepine
CID 142470098
1,5-dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 165379437
(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-amine
CID 164736851
ethane;2-fluoro-5,6-dimethylcyclohexa-1,3-diene
CID 144993516
2-ethyl-5-methyl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine
CID 123268597
3,6-dimethylcyclohexa-2,4-dien-1-ol
CID 154059355

Frequently Asked Questions

What is the IUPAC name of ethane;2,3,6-trimethyl-2,3-dihydropyridine?
The IUPAC name of ethane;2,3,6-trimethyl-2,3-dihydropyridine (CID 144863717) is ethane;2,3,6-trimethyl-2,3-dihydropyridine.
What is the SMILES notation for ethane;2,3,6-trimethyl-2,3-dihydropyridine?
The canonical SMILES for ethane;2,3,6-trimethyl-2,3-dihydropyridine is CC.CC1=NC(C)C(C)C=C1.
What is the InChIKey of ethane;2,3,6-trimethyl-2,3-dihydropyridine?
The InChIKey is ORPKBGGKBNXUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C2H6/c1-6-4-5-7(2)9-8(6)3;1-2/h4-6,8H,1-3H3;1-2H3.
What are the key properties of ethane;2,3,6-trimethyl-2,3-dihydropyridine?
ethane;2,3,6-trimethyl-2,3-dihydropyridine has a molecular weight of 153.27 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,6-trimethyl-2,3-dihydropyridine is sourced from PubChem (CID 144863717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).