1-(3-methylpentan-2-yl)azetidin-3-ol

C9H19NO — CID 130698575

IUPAC1-(3-methylpentan-2-yl)azetidin-3-ol
SMILESCCC(C)C(C)N1CC(O)C1
InChIInChI=1S/C9H19NO/c1-4-7(2)8(3)10-5-9(11)6-10/h7-9,11H,4-6H2,1-3H3
InChIKeyIEADIIMJCPYVFT-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.10
Rot. Bonds3

About 1-(3-methylpentan-2-yl)azetidin-3-ol

1-(3-methylpentan-2-yl)azetidin-3-ol (PubChem CID 130698575) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(3-methylpentan-2-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(3-methylpentan-2-yl)azetidin-3-ol
PubChem CID130698575
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(3-methylpentan-2-yl)azetidin-3-ol
SMILESCCC(C)C(C)N1CC(O)C1
InChIInChI=1S/C9H19NO/c1-4-7(2)8(3)10-5-9(11)6-10/h7-9,11H,4-6H2,1-3H3
InChIKeyIEADIIMJCPYVFT-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentan-2-yl)azetidin-3-ol?
The IUPAC name of 1-(3-methylpentan-2-yl)azetidin-3-ol (CID 130698575) is 1-(3-methylpentan-2-yl)azetidin-3-ol.
What is the SMILES notation for 1-(3-methylpentan-2-yl)azetidin-3-ol?
The canonical SMILES for 1-(3-methylpentan-2-yl)azetidin-3-ol is CCC(C)C(C)N1CC(O)C1.
What is the InChIKey of 1-(3-methylpentan-2-yl)azetidin-3-ol?
The InChIKey is IEADIIMJCPYVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-7(2)8(3)10-5-9(11)6-10/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 1-(3-methylpentan-2-yl)azetidin-3-ol?
1-(3-methylpentan-2-yl)azetidin-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentan-2-yl)azetidin-3-ol is sourced from PubChem (CID 130698575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).