2,3-dimethyl-3-(3-propan-2-ylazetidin-1-yl)butan-2-ol

C12H25NO — CID 106186739

IUPAC2,3-dimethyl-3-(3-propan-2-ylazetidin-1-yl)butan-2-ol
SMILESCC(C)C1CN(C(C)(C)C(C)(C)O)C1
InChIInChI=1S/C12H25NO/c1-9(2)10-7-13(8-10)11(3,4)12(5,6)14/h9-10,14H,7-8H2,1-6H3
InChIKeyMXFVCVNJEHUWHR-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.12
Rot. Bonds3

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

2,3-dimethyl-3-(3-propan-2-ylazetidin-1-yl)butan-2-ol (PubChem CID 106186739) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2,3-dimethyl-3-(3-propan-2-ylazetidin-1-yl)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-(3-propan-2-ylazetidin-1-yl)butan-2-ol
PubChem CID106186739
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2,3-dimethyl-3-(3-propan-2-ylazetidin-1-yl)butan-2-ol
SMILESCC(C)C1CN(C(C)(C)C(C)(C)O)C1
InChIInChI=1S/C12H25NO/c1-9(2)10-7-13(8-10)11(3,4)12(5,6)14/h9-10,14H,7-8H2,1-6H3
InChIKeyMXFVCVNJEHUWHR-UHFFFAOYSA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-(3-propan-2-ylazetidin-1-yl)butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-(3-propan-2-ylazetidin-1-yl)butan-2-ol (CID 106186739) is 2,3-dimethyl-3-(3-propan-2-ylazetidin-1-yl)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-(3-propan-2-ylazetidin-1-yl)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-(3-propan-2-ylazetidin-1-yl)butan-2-ol is CC(C)C1CN(C(C)(C)C(C)(C)O)C1.
What is the InChIKey of 2,3-dimethyl-3-(3-propan-2-ylazetidin-1-yl)butan-2-ol?
The InChIKey is MXFVCVNJEHUWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)10-7-13(8-10)11(3,4)12(5,6)14/h9-10,14H,7-8H2,1-6H3.
What are the key properties of 2,3-dimethyl-3-(3-propan-2-ylazetidin-1-yl)butan-2-ol?
2,3-dimethyl-3-(3-propan-2-ylazetidin-1-yl)butan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-(3-propan-2-ylazetidin-1-yl)butan-2-ol is sourced from PubChem (CID 106186739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).