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

C13H27NO — CID 106146143

IUPAC4,4-dimethyl-5-(3-propylazetidin-1-yl)pentan-1-ol
SMILESCCCC1CN(CC(C)(C)CCCO)C1
InChIInChI=1S/C13H27NO/c1-4-6-12-9-14(10-12)11-13(2,3)7-5-8-15/h12,15H,4-11H2,1-3H3
InChIKeyMSENYKNBNZWVJP-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.52
Rot. Bonds7

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

4,4-dimethyl-5-(3-propylazetidin-1-yl)pentan-1-ol (PubChem CID 106146143) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4,4-dimethyl-5-(3-propylazetidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-(3-propylazetidin-1-yl)pentan-1-ol
PubChem CID106146143
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4,4-dimethyl-5-(3-propylazetidin-1-yl)pentan-1-ol
SMILESCCCC1CN(CC(C)(C)CCCO)C1
InChIInChI=1S/C13H27NO/c1-4-6-12-9-14(10-12)11-13(2,3)7-5-8-15/h12,15H,4-11H2,1-3H3
InChIKeyMSENYKNBNZWVJP-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.52
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-propylazetidin-1-yl)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-(3-propylazetidin-1-yl)pentan-1-ol (CID 106146143) is 4,4-dimethyl-5-(3-propylazetidin-1-yl)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-(3-propylazetidin-1-yl)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-(3-propylazetidin-1-yl)pentan-1-ol is CCCC1CN(CC(C)(C)CCCO)C1.
What is the InChIKey of 4,4-dimethyl-5-(3-propylazetidin-1-yl)pentan-1-ol?
The InChIKey is MSENYKNBNZWVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-6-12-9-14(10-12)11-13(2,3)7-5-8-15/h12,15H,4-11H2,1-3H3.
What are the key properties of 4,4-dimethyl-5-(3-propylazetidin-1-yl)pentan-1-ol?
4,4-dimethyl-5-(3-propylazetidin-1-yl)pentan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.52, 7 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-propylazetidin-1-yl)pentan-1-ol is sourced from PubChem (CID 106146143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).