[1-[(3-ethylcyclobutyl)methylamino]cyclobutyl]methanol

C12H23NO — CID 68762930

IUPAC[1-[(3-ethylcyclobutyl)methylamino]cyclobutyl]methanol
SMILESCCC1CC(CNC2(CO)CCC2)C1
InChIInChI=1S/C12H23NO/c1-2-10-6-11(7-10)8-13-12(9-14)4-3-5-12/h10-11,13-14H,2-9H2,1H3
InChIKeyFXXSYKCSMXZZDI-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.93
Rot. Bonds5

About [1-[(3-ethylcyclobutyl)methylamino]cyclobutyl]methanol

[1-[(3-ethylcyclobutyl)methylamino]cyclobutyl]methanol (PubChem CID 68762930) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is [1-[(3-ethylcyclobutyl)methylamino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(3-ethylcyclobutyl)methylamino]cyclobutyl]methanol
PubChem CID68762930
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name[1-[(3-ethylcyclobutyl)methylamino]cyclobutyl]methanol
SMILESCCC1CC(CNC2(CO)CCC2)C1
InChIInChI=1S/C12H23NO/c1-2-10-6-11(7-10)8-13-12(9-14)4-3-5-12/h10-11,13-14H,2-9H2,1H3
InChIKeyFXXSYKCSMXZZDI-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-ethylcyclobutyl)methylamino]cyclobutyl]methanol?
The IUPAC name of [1-[(3-ethylcyclobutyl)methylamino]cyclobutyl]methanol (CID 68762930) is [1-[(3-ethylcyclobutyl)methylamino]cyclobutyl]methanol.
What is the SMILES notation for [1-[(3-ethylcyclobutyl)methylamino]cyclobutyl]methanol?
The canonical SMILES for [1-[(3-ethylcyclobutyl)methylamino]cyclobutyl]methanol is CCC1CC(CNC2(CO)CCC2)C1.
What is the InChIKey of [1-[(3-ethylcyclobutyl)methylamino]cyclobutyl]methanol?
The InChIKey is FXXSYKCSMXZZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-10-6-11(7-10)8-13-12(9-14)4-3-5-12/h10-11,13-14H,2-9H2,1H3.
What are the key properties of [1-[(3-ethylcyclobutyl)methylamino]cyclobutyl]methanol?
[1-[(3-ethylcyclobutyl)methylamino]cyclobutyl]methanol has a molecular weight of 197.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-ethylcyclobutyl)methylamino]cyclobutyl]methanol is sourced from PubChem (CID 68762930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).