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

C15H29N — CID 178007611

IUPACethane;3-ethyl-4-propan-2-yl-2-propyl-2,3-dihydropyridine
SMILESCC.CCCC1N=CC=C(C(C)C)C1CC
InChIInChI=1S/C13H23N.C2H6/c1-5-7-13-11(6-2)12(10(3)4)8-9-14-13;1-2/h8-11,13H,5-7H2,1-4H3;1-2H3
InChIKeyXQNJKNRAPJVUHJ-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.87
Rot. Bonds4

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

ethane;3-ethyl-4-propan-2-yl-2-propyl-2,3-dihydropyridine (PubChem CID 178007611) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is ethane;3-ethyl-4-propan-2-yl-2-propyl-2,3-dihydropyridine.

Molecular Properties

Compound Nameethane;3-ethyl-4-propan-2-yl-2-propyl-2,3-dihydropyridine
PubChem CID178007611
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Nameethane;3-ethyl-4-propan-2-yl-2-propyl-2,3-dihydropyridine
SMILESCC.CCCC1N=CC=C(C(C)C)C1CC
InChIInChI=1S/C13H23N.C2H6/c1-5-7-13-11(6-2)12(10(3)4)8-9-14-13;1-2/h8-11,13H,5-7H2,1-4H3;1-2H3
InChIKeyXQNJKNRAPJVUHJ-UHFFFAOYSA-N
XLogP4.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-propan-2-yl-6-propyl-1,2-diazabicyclo[3.1.0]hexa-2,4-diene
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1-ethyl-2-methylidene-3-propylcyclopropane
CID 123561937
(3S,4S)-3-ethyl-4-propylazetidin-2-one
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5-propan-2-yl-2-(3-propylazetidin-1-yl)pyrimidine
CID 170409803
(4R,5R)-2-methyl-4,5-dipropyl-4,5-dihydro-1,3-thiazole
CID 102372571
1-(1-cyclopropylethyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 112599308
1-methyl-3-propan-2-yl-2-propyl-2H-imidazole
CID 69391643
1-methyl-3-propan-2-yl-2H-pyridin-2-ol
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1-[1-(4-chlorophenyl)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione
CID 115947305

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-4-propan-2-yl-2-propyl-2,3-dihydropyridine?
The IUPAC name of ethane;3-ethyl-4-propan-2-yl-2-propyl-2,3-dihydropyridine (CID 178007611) is ethane;3-ethyl-4-propan-2-yl-2-propyl-2,3-dihydropyridine.
What is the SMILES notation for ethane;3-ethyl-4-propan-2-yl-2-propyl-2,3-dihydropyridine?
The canonical SMILES for ethane;3-ethyl-4-propan-2-yl-2-propyl-2,3-dihydropyridine is CC.CCCC1N=CC=C(C(C)C)C1CC.
What is the InChIKey of ethane;3-ethyl-4-propan-2-yl-2-propyl-2,3-dihydropyridine?
The InChIKey is XQNJKNRAPJVUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N.C2H6/c1-5-7-13-11(6-2)12(10(3)4)8-9-14-13;1-2/h8-11,13H,5-7H2,1-4H3;1-2H3.
What are the key properties of ethane;3-ethyl-4-propan-2-yl-2-propyl-2,3-dihydropyridine?
ethane;3-ethyl-4-propan-2-yl-2-propyl-2,3-dihydropyridine has a molecular weight of 223.40 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-4-propan-2-yl-2-propyl-2,3-dihydropyridine is sourced from PubChem (CID 178007611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).