ethane;3-(1-methylcyclobutyl)pyridine

C12H19N — CID 142353863

IUPACethane;3-(1-methylcyclobutyl)pyridine
SMILESCC.CC1(c2cccnc2)CCC1
InChIInChI=1S/C10H13N.C2H6/c1-10(5-3-6-10)9-4-2-7-11-8-9;1-2/h2,4,7-8H,3,5-6H2,1H3;1-2H3
InChIKeyAKYPGJHELMLSBT-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.55
Rot. Bonds1

About ethane;3-(1-methylcyclobutyl)pyridine

ethane;3-(1-methylcyclobutyl)pyridine (PubChem CID 142353863) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is ethane;3-(1-methylcyclobutyl)pyridine.

Molecular Properties

Compound Nameethane;3-(1-methylcyclobutyl)pyridine
PubChem CID142353863
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Nameethane;3-(1-methylcyclobutyl)pyridine
SMILESCC.CC1(c2cccnc2)CCC1
InChIInChI=1S/C10H13N.C2H6/c1-10(5-3-6-10)9-4-2-7-11-8-9;1-2/h2,4,7-8H,3,5-6H2,1H3;1-2H3
InChIKeyAKYPGJHELMLSBT-UHFFFAOYSA-N
XLogP3.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-fluorocyclobutyl)pyridine
CID 158766896
3-(3-bromo-1-methylcyclopentyl)pyridine
CID 116540502
ethane;4-(1-methylcyclopentyl)pyridine
CID 144662823
N-methyl-1-(1-pyridin-3-ylcyclobutyl)methanamine
CID 80522291
3-(2-methylpiperidin-2-yl)pyridine
CID 23344429
3-[4-(1-methylcyclopropyl)phenyl]pyridine
CID 90269531
methyl 1-pyridin-3-ylcyclobutane-1-carboxylate
CID 116963934
3-(1-chloro-2,2,3,3-tetramethylcyclopropyl)pyridine
CID 13486942
3-(1-ethyl-2-methylpyrrolidin-2-yl)pyridine
CID 176918775
3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine
CID 175960409
2-methyl-1-pyridin-3-ylcyclopentan-1-ol
CID 65049879
methane;(1-methylcyclopentyl)benzene
CID 143499824

Frequently Asked Questions

What is the IUPAC name of ethane;3-(1-methylcyclobutyl)pyridine?
The IUPAC name of ethane;3-(1-methylcyclobutyl)pyridine (CID 142353863) is ethane;3-(1-methylcyclobutyl)pyridine.
What is the SMILES notation for ethane;3-(1-methylcyclobutyl)pyridine?
The canonical SMILES for ethane;3-(1-methylcyclobutyl)pyridine is CC.CC1(c2cccnc2)CCC1.
What is the InChIKey of ethane;3-(1-methylcyclobutyl)pyridine?
The InChIKey is AKYPGJHELMLSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C2H6/c1-10(5-3-6-10)9-4-2-7-11-8-9;1-2/h2,4,7-8H,3,5-6H2,1H3;1-2H3.
What are the key properties of ethane;3-(1-methylcyclobutyl)pyridine?
ethane;3-(1-methylcyclobutyl)pyridine has a molecular weight of 177.29 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(1-methylcyclobutyl)pyridine is sourced from PubChem (CID 142353863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).