ethane;1,3,4,5,6-penta(propan-2-yl)-2H-pyridine

C22H43N — CID 158001921

IUPACethane;1,3,4,5,6-penta(propan-2-yl)-2H-pyridine
SMILESCC.CC(C)C1=C(C(C)C)C(C(C)C)=C(C(C)C)N(C(C)C)C1
InChIInChI=1S/C20H37N.C2H6/c1-12(2)17-11-21(16(9)10)20(15(7)8)19(14(5)6)18(17)13(3)4;1-2/h12-16H,11H2,1-10H3;1-2H3
InChIKeyFDVJWKYIUUEUBA-UHFFFAOYSA-N
MW321.59 g/mol
LogP6.91
Rot. Bonds5

About ethane;1,3,4,5,6-penta(propan-2-yl)-2H-pyridine

ethane;1,3,4,5,6-penta(propan-2-yl)-2H-pyridine (PubChem CID 158001921) has the molecular formula C22H43N and a molecular weight of 321.59 g/mol. Its IUPAC name is ethane;1,3,4,5,6-penta(propan-2-yl)-2H-pyridine.

Molecular Properties

Compound Nameethane;1,3,4,5,6-penta(propan-2-yl)-2H-pyridine
PubChem CID158001921
Molecular FormulaC22H43N
Molecular Weight321.59 g/mol
Exact Mass321.34
IUPAC Nameethane;1,3,4,5,6-penta(propan-2-yl)-2H-pyridine
SMILESCC.CC(C)C1=C(C(C)C)C(C(C)C)=C(C(C)C)N(C(C)C)C1
InChIInChI=1S/C20H37N.C2H6/c1-12(2)17-11-21(16(9)10)20(15(7)8)19(14(5)6)18(17)13(3)4;1-2/h12-16H,11H2,1-10H3;1-2H3
InChIKeyFDVJWKYIUUEUBA-UHFFFAOYSA-N
XLogP6.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.59
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;1,3,4,5,6-penta(propan-2-yl)-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1,3,4,5,6-penta(propan-2-yl)-2,7-dihydroazepine
CID 158337584
ethane;methane;2-methylpropane;1,3,4,5,6-penta(propan-2-yl)-2,7-dihydroazepine
CID 167638012
2,3,4,6,7-penta(propan-2-yl)-5H-1,4-oxazepine
CID 167609991
ethane;1,2,3,4-tetra(propan-2-yl)cyclohexa-1,3-diene
CID 167536251
ethane;1,3,4-tri(propan-2-yl)-2H-azepin-7-one
CID 162282715
(11Z)-5,11,12-tri(propan-2-yl)-6H-benzo[c][1]benzazocine
CID 168786359
4,5,6-tri(propan-2-yl)-2,3-dihydro-1,4-oxazine
CID 90075952
5-ethyl-1,4-di(propan-2-yl)-2,3-dihydropyrrole
CID 174352136
1,3-di(propan-2-yl)azetidin-2-one
CID 166023384
5-tert-butyl-1,6-di(propan-2-yl)-2H-azepin-7-one
CID 164786411
CID 100954217
CID 100954217
2,3-di(propan-2-yl)cyclopent-2-en-1-one
CID 18551295

Frequently Asked Questions

What is the IUPAC name of ethane;1,3,4,5,6-penta(propan-2-yl)-2H-pyridine?
The IUPAC name of ethane;1,3,4,5,6-penta(propan-2-yl)-2H-pyridine (CID 158001921) is ethane;1,3,4,5,6-penta(propan-2-yl)-2H-pyridine.
What is the SMILES notation for ethane;1,3,4,5,6-penta(propan-2-yl)-2H-pyridine?
The canonical SMILES for ethane;1,3,4,5,6-penta(propan-2-yl)-2H-pyridine is CC.CC(C)C1=C(C(C)C)C(C(C)C)=C(C(C)C)N(C(C)C)C1.
What is the InChIKey of ethane;1,3,4,5,6-penta(propan-2-yl)-2H-pyridine?
The InChIKey is FDVJWKYIUUEUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N.C2H6/c1-12(2)17-11-21(16(9)10)20(15(7)8)19(14(5)6)18(17)13(3)4;1-2/h12-16H,11H2,1-10H3;1-2H3.
What are the key properties of ethane;1,3,4,5,6-penta(propan-2-yl)-2H-pyridine?
ethane;1,3,4,5,6-penta(propan-2-yl)-2H-pyridine has a molecular weight of 321.59 g/mol, XLogP of 6.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,4,5,6-penta(propan-2-yl)-2H-pyridine is sourced from PubChem (CID 158001921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).