1-(3,3-dimethylbutyl)azetidin-3-ol

C9H19NO — CID 58530884

IUPAC1-(3,3-dimethylbutyl)azetidin-3-ol
SMILESCC(C)(C)CCN1CC(O)C1
InChIInChI=1S/C9H19NO/c1-9(2,3)4-5-10-6-8(11)7-10/h8,11H,4-7H2,1-3H3
InChIKeyCTHHFVQQBOMJBB-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.10
Rot. Bonds2

About 1-(3,3-dimethylbutyl)azetidin-3-ol

1-(3,3-dimethylbutyl)azetidin-3-ol (PubChem CID 58530884) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)azetidin-3-ol
PubChem CID58530884
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(3,3-dimethylbutyl)azetidin-3-ol
SMILESCC(C)(C)CCN1CC(O)C1
InChIInChI=1S/C9H19NO/c1-9(2,3)4-5-10-6-8(11)7-10/h8,11H,4-7H2,1-3H3
InChIKeyCTHHFVQQBOMJBB-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

2-(3-(Propan-2-yl)azetidin-1-yl)ethan-1-ol
CID 84020749
1,1-Diethylazetidin-1-ium-3-ol
CID 11389598
(2R)-1-(dimethylamino)-3,3-dimethylbutan-2-ol
CID 58105895
1-Butylazetidin-3-ol
CID 12982481
1-(3-Fluoro-3-methylazetidin-1-yl)-3-methylbutan-2-ol
CID 170176023
1-(Dimethylamino)-3,3-dimethylbutan-2-ol
CID 14223740
1-(Diethylamino)-3,3-dimethylbutan-2-ol
CID 21806587
3-(3,3-Diethylazetidin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 105649095
3-(3-Tert-butylazetidin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 105649110
3-(3,3-Diethylazetidin-1-yl)-1,1-difluoropropan-2-ol
CID 105649163
3-(3-Tert-butylazetidin-1-yl)-1,1-difluoropropan-2-ol
CID 105649206
1-(3-Fluoroazetidin-1-yl)-3,3-dimethylbutan-2-ol
CID 127012049

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)azetidin-3-ol?
The IUPAC name of 1-(3,3-dimethylbutyl)azetidin-3-ol (CID 58530884) is 1-(3,3-dimethylbutyl)azetidin-3-ol.
What is the SMILES notation for 1-(3,3-dimethylbutyl)azetidin-3-ol?
The canonical SMILES for 1-(3,3-dimethylbutyl)azetidin-3-ol is CC(C)(C)CCN1CC(O)C1.
What is the InChIKey of 1-(3,3-dimethylbutyl)azetidin-3-ol?
The InChIKey is CTHHFVQQBOMJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2,3)4-5-10-6-8(11)7-10/h8,11H,4-7H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutyl)azetidin-3-ol?
1-(3,3-dimethylbutyl)azetidin-3-ol 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 1-(3,3-dimethylbutyl)azetidin-3-ol is sourced from PubChem (CID 58530884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).