2-[1-(1-ethylcyclobutyl)butan-2-yl]-5-propan-2-yl-2,3-dihydropyridine

C18H31N — CID 91551985

IUPAC2-[1-(1-ethylcyclobutyl)butan-2-yl]-5-propan-2-yl-2,3-dihydropyridine
SMILESCCC(CC1(CC)CCC1)C1CC=C(C(C)C)C=N1
InChIInChI=1S/C18H31N/c1-5-15(12-18(6-2)10-7-11-18)17-9-8-16(13-19-17)14(3)4/h8,13-15,17H,5-7,9-12H2,1-4H3
InChIKeyHSPPITZGZYGJSI-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.41
Rot. Bonds6

About 2-[1-(1-ethylcyclobutyl)butan-2-yl]-5-propan-2-yl-2,3-dihydropyridine

2-[1-(1-ethylcyclobutyl)butan-2-yl]-5-propan-2-yl-2,3-dihydropyridine (PubChem CID 91551985) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2-[1-(1-ethylcyclobutyl)butan-2-yl]-5-propan-2-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name2-[1-(1-ethylcyclobutyl)butan-2-yl]-5-propan-2-yl-2,3-dihydropyridine
PubChem CID91551985
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2-[1-(1-ethylcyclobutyl)butan-2-yl]-5-propan-2-yl-2,3-dihydropyridine
SMILESCCC(CC1(CC)CCC1)C1CC=C(C(C)C)C=N1
InChIInChI=1S/C18H31N/c1-5-15(12-18(6-2)10-7-11-18)17-9-8-16(13-19-17)14(3)4/h8,13-15,17H,5-7,9-12H2,1-4H3
InChIKeyHSPPITZGZYGJSI-UHFFFAOYSA-N
XLogP5.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Tert-butyl-2-(2,4-difluorocyclohex-2-en-1-yl)-3-methyl-2,3-dihydropyridine
CID 71096378
(1S,4S,5R)-4,7-ditert-butyl-2-azabicyclo[3.2.0]hepta-2,6-diene
CID 12014503
2-Butyl-3,5-dipropyl-2,3-dihydropyridine
CID 85526511
(4Z,8Z)-11-butyl-11-ethyl-2-heptan-3-yl-1-azacyclododeca-4,8,12-triene
CID 20436140
(4E,8E)-11-butyl-11-ethyl-2-heptan-3-yl-1-azacyclododeca-4,8,12-triene
CID 22811544
3-Ethyl-3-n-butyl-12-(3-heptyl)-1-aza-1,5,9-cyclododecatriene
CID 54478278
2-(3,3-Dimethylpentyl)-1-azacyclododeca-4,8,12-triene
CID 70585406
(5R)-5-[(Z)-6-ethyl-3,3,9-trimethyldec-5-enyl]-5,6,7,7a-tetrahydro-3H-indole
CID 89973111
2-Tert-butyl-5-(2,4,4-trimethylpentan-2-yl)-2,3-dihydropyridine
CID 89988986
5-Ethyl-2-heptan-4-yl-2,3-dihydropyridine
CID 90902116
3,5-Diethyl-2-propyl-2,3-dihydropyridine
CID 91005853
2,5-dimethyl-2-[[4-(5-methyl-2-methylidenehex-5-enyl)cycloheptyl]methyl]-3H-pyridine
CID 91261335

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethylcyclobutyl)butan-2-yl]-5-propan-2-yl-2,3-dihydropyridine?
The IUPAC name of 2-[1-(1-ethylcyclobutyl)butan-2-yl]-5-propan-2-yl-2,3-dihydropyridine (CID 91551985) is 2-[1-(1-ethylcyclobutyl)butan-2-yl]-5-propan-2-yl-2,3-dihydropyridine.
What is the SMILES notation for 2-[1-(1-ethylcyclobutyl)butan-2-yl]-5-propan-2-yl-2,3-dihydropyridine?
The canonical SMILES for 2-[1-(1-ethylcyclobutyl)butan-2-yl]-5-propan-2-yl-2,3-dihydropyridine is CCC(CC1(CC)CCC1)C1CC=C(C(C)C)C=N1.
What is the InChIKey of 2-[1-(1-ethylcyclobutyl)butan-2-yl]-5-propan-2-yl-2,3-dihydropyridine?
The InChIKey is HSPPITZGZYGJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-5-15(12-18(6-2)10-7-11-18)17-9-8-16(13-19-17)14(3)4/h8,13-15,17H,5-7,9-12H2,1-4H3.
What are the key properties of 2-[1-(1-ethylcyclobutyl)butan-2-yl]-5-propan-2-yl-2,3-dihydropyridine?
2-[1-(1-ethylcyclobutyl)butan-2-yl]-5-propan-2-yl-2,3-dihydropyridine has a molecular weight of 261.45 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethylcyclobutyl)butan-2-yl]-5-propan-2-yl-2,3-dihydropyridine is sourced from PubChem (CID 91551985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).