3-methyl-2-(2-methylazetidin-1-yl)butan-1-ol

C9H19NO — CID 104550509

IUPAC3-methyl-2-(2-methylazetidin-1-yl)butan-1-ol
SMILESCC(C)C(CO)N1CCC1C
InChIInChI=1S/C9H19NO/c1-7(2)9(6-11)10-5-4-8(10)3/h7-9,11H,4-6H2,1-3H3
InChIKeyIDRRNHSHOPGRQZ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.10
Rot. Bonds3

About 3-methyl-2-(2-methylazetidin-1-yl)butan-1-ol

3-methyl-2-(2-methylazetidin-1-yl)butan-1-ol (PubChem CID 104550509) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-methyl-2-(2-methylazetidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-(2-methylazetidin-1-yl)butan-1-ol
PubChem CID104550509
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-methyl-2-(2-methylazetidin-1-yl)butan-1-ol
SMILESCC(C)C(CO)N1CCC1C
InChIInChI=1S/C9H19NO/c1-7(2)9(6-11)10-5-4-8(10)3/h7-9,11H,4-6H2,1-3H3
InChIKeyIDRRNHSHOPGRQZ-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 3-methyl-2-(2-methylazetidin-1-yl)butan-1-ol?
The IUPAC name of 3-methyl-2-(2-methylazetidin-1-yl)butan-1-ol (CID 104550509) is 3-methyl-2-(2-methylazetidin-1-yl)butan-1-ol.
What is the SMILES notation for 3-methyl-2-(2-methylazetidin-1-yl)butan-1-ol?
The canonical SMILES for 3-methyl-2-(2-methylazetidin-1-yl)butan-1-ol is CC(C)C(CO)N1CCC1C.
What is the InChIKey of 3-methyl-2-(2-methylazetidin-1-yl)butan-1-ol?
The InChIKey is IDRRNHSHOPGRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)9(6-11)10-5-4-8(10)3/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 3-methyl-2-(2-methylazetidin-1-yl)butan-1-ol?
3-methyl-2-(2-methylazetidin-1-yl)butan-1-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 3-methyl-2-(2-methylazetidin-1-yl)butan-1-ol is sourced from PubChem (CID 104550509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).