1-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)ethanol

C10H19NO — CID 104549600

IUPAC1-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)ethanol
SMILESCC1(C)CN(CC(O)C2CC2)C1
InChIInChI=1S/C10H19NO/c1-10(2)6-11(7-10)5-9(12)8-3-4-8/h8-9,12H,3-7H2,1-2H3
InChIKeyKZLFUNJCTIHVNR-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.10
Rot. Bonds3

About 1-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)ethanol

1-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)ethanol (PubChem CID 104549600) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)ethanol
PubChem CID104549600
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)ethanol
SMILESCC1(C)CN(CC(O)C2CC2)C1
InChIInChI=1S/C10H19NO/c1-10(2)6-11(7-10)5-9(12)8-3-4-8/h8-9,12H,3-7H2,1-2H3
InChIKeyKZLFUNJCTIHVNR-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)ethanol?
The IUPAC name of 1-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)ethanol (CID 104549600) is 1-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)ethanol is CC1(C)CN(CC(O)C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)ethanol?
The InChIKey is KZLFUNJCTIHVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2)6-11(7-10)5-9(12)8-3-4-8/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)ethanol?
1-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)ethanol has a molecular weight of 169.27 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3,3-dimethylazetidin-1-yl)ethanol is sourced from PubChem (CID 104549600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).