(3,3-dimethyl-1-propan-2-ylazetidin-2-yl)methanol

C9H19NO — CID 45096023

IUPAC(3,3-dimethyl-1-propan-2-ylazetidin-2-yl)methanol
SMILESCC(C)N1CC(C)(C)C1CO
InChIInChI=1S/C9H19NO/c1-7(2)10-6-9(3,4)8(10)5-11/h7-8,11H,5-6H2,1-4H3
InChIKeyACUHFHWLFXUUOQ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.10
Rot. Bonds2

About (3,3-dimethyl-1-propan-2-ylazetidin-2-yl)methanol

(3,3-dimethyl-1-propan-2-ylazetidin-2-yl)methanol (PubChem CID 45096023) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (3,3-dimethyl-1-propan-2-ylazetidin-2-yl)methanol.

Molecular Properties

Compound Name(3,3-dimethyl-1-propan-2-ylazetidin-2-yl)methanol
PubChem CID45096023
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(3,3-dimethyl-1-propan-2-ylazetidin-2-yl)methanol
SMILESCC(C)N1CC(C)(C)C1CO
InChIInChI=1S/C9H19NO/c1-7(2)10-6-9(3,4)8(10)5-11/h7-8,11H,5-6H2,1-4H3
InChIKeyACUHFHWLFXUUOQ-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Tert-butylazetidin-2-yl)methanol
CID 282393
(1-Methylazetidin-2-yl)methanol
CID 54144903
[1-(Propan-2-yl)azetidin-2-yl]methanol
CID 282394
2-Fluoro-2-(1-propan-2-ylazetidin-3-yl)ethanol
CID 105431672
(1-Ethylazetidin-2-yl)methanol
CID 17811205
(1,2-Dimethylazetidin-2-yl)methanol
CID 17835209
2-(1-Propan-2-ylazetidin-3-yl)propan-1-ol
CID 22896270
(1,3-Dimethylazetidin-2-yl)methanol
CID 54143715
(S)-(1-Methylazetidin-2-yl)methanol
CID 54144904
[(2S)-1-tert-butylazetidin-2-yl]methanol
CID 57908257
[(2S)-1-tert-butyl-1-methylazetidin-1-ium-2-yl]methanol
CID 58361143
(R)-(1-Methyl-azetidin-2-yl)-methanol
CID 59504978

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-1-propan-2-ylazetidin-2-yl)methanol?
The IUPAC name of (3,3-dimethyl-1-propan-2-ylazetidin-2-yl)methanol (CID 45096023) is (3,3-dimethyl-1-propan-2-ylazetidin-2-yl)methanol.
What is the SMILES notation for (3,3-dimethyl-1-propan-2-ylazetidin-2-yl)methanol?
The canonical SMILES for (3,3-dimethyl-1-propan-2-ylazetidin-2-yl)methanol is CC(C)N1CC(C)(C)C1CO.
What is the InChIKey of (3,3-dimethyl-1-propan-2-ylazetidin-2-yl)methanol?
The InChIKey is ACUHFHWLFXUUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)10-6-9(3,4)8(10)5-11/h7-8,11H,5-6H2,1-4H3.
What are the key properties of (3,3-dimethyl-1-propan-2-ylazetidin-2-yl)methanol?
(3,3-dimethyl-1-propan-2-ylazetidin-2-yl)methanol has a molecular weight of 157.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-1-propan-2-ylazetidin-2-yl)methanol is sourced from PubChem (CID 45096023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).