3-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine

C18H35N — CID 20872167

IUPAC3-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine
SMILESCCCCC1CC(C(C)(C)C)=C(C(C)(C)C)N(C)C1
InChIInChI=1S/C18H35N/c1-9-10-11-14-12-15(17(2,3)4)16(18(5,6)7)19(8)13-14/h14H,9-13H2,1-8H3
InChIKeyHIEUULFXMDQBJG-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.47
Rot. Bonds3

About 3-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine

3-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine (PubChem CID 20872167) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 3-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name3-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine
PubChem CID20872167
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name3-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine
SMILESCCCCC1CC(C(C)(C)C)=C(C(C)(C)C)N(C)C1
InChIInChI=1S/C18H35N/c1-9-10-11-14-12-15(17(2,3)4)16(18(5,6)7)19(8)13-14/h14H,9-13H2,1-8H3
InChIKeyHIEUULFXMDQBJG-UHFFFAOYSA-N
XLogP5.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]propane-1,3-diamine
CID 3741519
Ammonium, hexamethylenebis(2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butyl)bis(dimethyl-, dibromide, dihydrate
CID 48640
Ammonium, hexamethylenebis(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl)bis(dimethyl-, dibromide, hydrate
CID 51488
1,2,5,6-tetratert-butyl-4-fluoro-3,4-dihydro-2H-pyridine
CID 172171245
1,2,5,6-Tetratert-butyl-4,4-difluoro-2,3-dihydropyridine
CID 172171246
6-Fluoro-2-methyl-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
CID 176829614
9-Fluoro-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene
CID 176829800
2-Fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
CID 176829939
10-Fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
CID 176830002
5-[Dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]pentyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium
CID 48047
4-[Dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azaniumyl]butyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium
CID 48067
4-[Dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]butyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium
CID 48069

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 3-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine (CID 20872167) is 3-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 3-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 3-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine is CCCCC1CC(C(C)(C)C)=C(C(C)(C)C)N(C)C1.
What is the InChIKey of 3-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine?
The InChIKey is HIEUULFXMDQBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-9-10-11-14-12-15(17(2,3)4)16(18(5,6)7)19(8)13-14/h14H,9-13H2,1-8H3.
What are the key properties of 3-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine?
3-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine has a molecular weight of 265.48 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5,6-ditert-butyl-1-methyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 20872167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).