2-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]propan-1-ol

C11H23NO — CID 59603433

IUPAC2-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]propan-1-ol
SMILESCC(C)CN1CC(C(O)C(C)C)C1
InChIInChI=1S/C11H23NO/c1-8(2)5-12-6-10(7-12)11(13)9(3)4/h8-11,13H,5-7H2,1-4H3
InChIKeyDHUGWRUMAGPSOX-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.59
Rot. Bonds4

About 2-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]propan-1-ol

2-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]propan-1-ol (PubChem CID 59603433) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]propan-1-ol
PubChem CID59603433
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]propan-1-ol
SMILESCC(C)CN1CC(C(O)C(C)C)C1
InChIInChI=1S/C11H23NO/c1-8(2)5-12-6-10(7-12)11(13)9(3)4/h8-11,13H,5-7H2,1-4H3
InChIKeyDHUGWRUMAGPSOX-UHFFFAOYSA-N
XLogP1.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]propan-1-ol (CID 59603433) is 2-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]propan-1-ol is CC(C)CN1CC(C(O)C(C)C)C1.
What is the InChIKey of 2-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]propan-1-ol?
The InChIKey is DHUGWRUMAGPSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)5-12-6-10(7-12)11(13)9(3)4/h8-11,13H,5-7H2,1-4H3.
What are the key properties of 2-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]propan-1-ol?
2-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]propan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]propan-1-ol is sourced from PubChem (CID 59603433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).