4-methyl-3-(3-methylazetidin-1-yl)pentan-1-ol

C10H21NO — CID 106353495

IUPAC4-methyl-3-(3-methylazetidin-1-yl)pentan-1-ol
SMILESCC1CN(C(CCO)C(C)C)C1
InChIInChI=1S/C10H21NO/c1-8(2)10(4-5-12)11-6-9(3)7-11/h8-10,12H,4-7H2,1-3H3
InChIKeyJHQSRXQKEHSTOI-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.35
Rot. Bonds4

About 4-methyl-3-(3-methylazetidin-1-yl)pentan-1-ol

4-methyl-3-(3-methylazetidin-1-yl)pentan-1-ol (PubChem CID 106353495) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-methyl-3-(3-methylazetidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-(3-methylazetidin-1-yl)pentan-1-ol
PubChem CID106353495
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-methyl-3-(3-methylazetidin-1-yl)pentan-1-ol
SMILESCC1CN(C(CCO)C(C)C)C1
InChIInChI=1S/C10H21NO/c1-8(2)10(4-5-12)11-6-9(3)7-11/h8-10,12H,4-7H2,1-3H3
InChIKeyJHQSRXQKEHSTOI-UHFFFAOYSA-N
XLogP1.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-methylazetidin-1-yl)pentan-1-ol?
The IUPAC name of 4-methyl-3-(3-methylazetidin-1-yl)pentan-1-ol (CID 106353495) is 4-methyl-3-(3-methylazetidin-1-yl)pentan-1-ol.
What is the SMILES notation for 4-methyl-3-(3-methylazetidin-1-yl)pentan-1-ol?
The canonical SMILES for 4-methyl-3-(3-methylazetidin-1-yl)pentan-1-ol is CC1CN(C(CCO)C(C)C)C1.
What is the InChIKey of 4-methyl-3-(3-methylazetidin-1-yl)pentan-1-ol?
The InChIKey is JHQSRXQKEHSTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)10(4-5-12)11-6-9(3)7-11/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 4-methyl-3-(3-methylazetidin-1-yl)pentan-1-ol?
4-methyl-3-(3-methylazetidin-1-yl)pentan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-methylazetidin-1-yl)pentan-1-ol is sourced from PubChem (CID 106353495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).