4,4-dimethyl-5-(3-methylazetidin-1-yl)pentan-1-ol

C11H23NO — CID 106146126

IUPAC4,4-dimethyl-5-(3-methylazetidin-1-yl)pentan-1-ol
SMILESCC1CN(CC(C)(C)CCCO)C1
InChIInChI=1S/C11H23NO/c1-10-7-12(8-10)9-11(2,3)5-4-6-13/h10,13H,4-9H2,1-3H3
InChIKeyGNMJFJRDPHHXHO-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.74
Rot. Bonds5

About 4,4-dimethyl-5-(3-methylazetidin-1-yl)pentan-1-ol

4,4-dimethyl-5-(3-methylazetidin-1-yl)pentan-1-ol (PubChem CID 106146126) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4,4-dimethyl-5-(3-methylazetidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-(3-methylazetidin-1-yl)pentan-1-ol
PubChem CID106146126
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4,4-dimethyl-5-(3-methylazetidin-1-yl)pentan-1-ol
SMILESCC1CN(CC(C)(C)CCCO)C1
InChIInChI=1S/C11H23NO/c1-10-7-12(8-10)9-11(2,3)5-4-6-13/h10,13H,4-9H2,1-3H3
InChIKeyGNMJFJRDPHHXHO-UHFFFAOYSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(3-methylazetidin-1-yl)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-(3-methylazetidin-1-yl)pentan-1-ol (CID 106146126) is 4,4-dimethyl-5-(3-methylazetidin-1-yl)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-(3-methylazetidin-1-yl)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-(3-methylazetidin-1-yl)pentan-1-ol is CC1CN(CC(C)(C)CCCO)C1.
What is the InChIKey of 4,4-dimethyl-5-(3-methylazetidin-1-yl)pentan-1-ol?
The InChIKey is GNMJFJRDPHHXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10-7-12(8-10)9-11(2,3)5-4-6-13/h10,13H,4-9H2,1-3H3.
What are the key properties of 4,4-dimethyl-5-(3-methylazetidin-1-yl)pentan-1-ol?
4,4-dimethyl-5-(3-methylazetidin-1-yl)pentan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(3-methylazetidin-1-yl)pentan-1-ol is sourced from PubChem (CID 106146126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).