2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol;ethane

C14H29NO — CID 171556528

IUPAC2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol;ethane
SMILESCC.CC.CC1=CNC(C(C)(C)O)C=C1C
InChIInChI=1S/C10H17NO.2C2H6/c1-7-5-9(10(3,4)12)11-6-8(7)2;2*1-2/h5-6,9,11-12H,1-4H3;2*1-2H3
InChIKeyXDEFJBWWRWQYLS-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.63
Rot. Bonds1

About 2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol;ethane

2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol;ethane (PubChem CID 171556528) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol;ethane.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol;ethane
PubChem CID171556528
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol;ethane
SMILESCC.CC.CC1=CNC(C(C)(C)O)C=C1C
InChIInChI=1S/C10H17NO.2C2H6/c1-7-5-9(10(3,4)12)11-6-8(7)2;2*1-2/h5-6,9,11-12H,1-4H3;2*1-2H3
InChIKeyXDEFJBWWRWQYLS-UHFFFAOYSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-Fluoro-3-methyl-1,2-dihydropyridin-2-yl)ethenol
CID 168202051
[(2S)-3,5-dimethyl-1,2-dihydropyridin-2-yl]methanol
CID 88975943
2-(6-Methyl-1,2-dihydropyridin-2-yl)propan-2-ol
CID 90247451
2,5-Dimethyl-1,2-dihydropyridin-3-ol
CID 129042370
(3,5-Dimethyl-1,2-dihydropyridin-2-yl)methanol
CID 141203015
5-methyl-3a,7a-dihydro-1H-indol-7-ol;propane
CID 143778580
2-(6-Bromo-1,2-dihydropyridin-2-yl)propan-2-ol
CID 143930436
(4E)-4-ethenyl-2-methyl-3-(propan-2-ylamino)hepta-4,6-dien-2-ol
CID 145636556
2-(1,2-Dihydropyridin-2-yl)propan-2-ol
CID 148824024
2-(4-Ethyl-1,2-dihydropyridin-2-yl)propan-2-ol
CID 155201098
Ethane;2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol
CID 155709660
CID 171555194
CID 171555194

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol;ethane?
The IUPAC name of 2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol;ethane (CID 171556528) is 2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol;ethane.
What is the SMILES notation for 2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol;ethane?
The canonical SMILES for 2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol;ethane is CC.CC.CC1=CNC(C(C)(C)O)C=C1C.
What is the InChIKey of 2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol;ethane?
The InChIKey is XDEFJBWWRWQYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.2C2H6/c1-7-5-9(10(3,4)12)11-6-8(7)2;2*1-2/h5-6,9,11-12H,1-4H3;2*1-2H3.
What are the key properties of 2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol;ethane?
2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol;ethane has a molecular weight of 227.39 g/mol, XLogP of 3.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol;ethane is sourced from PubChem (CID 171556528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).