(1,3,4-trimethylazetidin-2-yl)methanol

C7H15NO — CID 135014694

IUPAC(1,3,4-trimethylazetidin-2-yl)methanol
SMILESCC1C(C)N(C)C1CO
InChIInChI=1S/C7H15NO/c1-5-6(2)8(3)7(5)4-9/h5-7,9H,4H2,1-3H3
InChIKeyWSFBJPNJWDJYQZ-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.32
Rot. Bonds1

About (1,3,4-trimethylazetidin-2-yl)methanol

(1,3,4-trimethylazetidin-2-yl)methanol (PubChem CID 135014694) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (1,3,4-trimethylazetidin-2-yl)methanol.

Molecular Properties

Compound Name(1,3,4-trimethylazetidin-2-yl)methanol
PubChem CID135014694
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(1,3,4-trimethylazetidin-2-yl)methanol
SMILESCC1C(C)N(C)C1CO
InChIInChI=1S/C7H15NO/c1-5-6(2)8(3)7(5)4-9/h5-7,9H,4H2,1-3H3
InChIKeyWSFBJPNJWDJYQZ-UHFFFAOYSA-N
XLogP0.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Methylazetidin-2-yl)methanol
CID 54144903
[1-(Propan-2-yl)azetidin-2-yl]methanol
CID 282394
(1-Ethylazetidin-2-yl)methanol
CID 17811205
(1,2-Dimethylazetidin-2-yl)methanol
CID 17835209
(1,3-Dimethylazetidin-2-yl)methanol
CID 54143715
(S)-(1-Methylazetidin-2-yl)methanol
CID 54144904
[4-(Hydroxymethyl)-1-methylazetidin-2-yl]methanol
CID 58400635
[(2S)-3-ethyl-1-methylazetidin-2-yl]methanol
CID 58977522
(R)-(1-Methyl-azetidin-2-yl)-methanol
CID 59504978
2-(Diethylamino)-3-methylpentan-1-ol
CID 87543184
(2S,3S)-2-(diethylamino)-3-methylpentan-1-ol
CID 87543185
2-(1,2-Dimethyl-1-oxidoazetidin-1-ium-3-yl)ethanol
CID 88248217

Frequently Asked Questions

What is the IUPAC name of (1,3,4-trimethylazetidin-2-yl)methanol?
The IUPAC name of (1,3,4-trimethylazetidin-2-yl)methanol (CID 135014694) is (1,3,4-trimethylazetidin-2-yl)methanol.
What is the SMILES notation for (1,3,4-trimethylazetidin-2-yl)methanol?
The canonical SMILES for (1,3,4-trimethylazetidin-2-yl)methanol is CC1C(C)N(C)C1CO.
What is the InChIKey of (1,3,4-trimethylazetidin-2-yl)methanol?
The InChIKey is WSFBJPNJWDJYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-5-6(2)8(3)7(5)4-9/h5-7,9H,4H2,1-3H3.
What are the key properties of (1,3,4-trimethylazetidin-2-yl)methanol?
(1,3,4-trimethylazetidin-2-yl)methanol has a molecular weight of 129.20 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,4-trimethylazetidin-2-yl)methanol is sourced from PubChem (CID 135014694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).