5-(3,3-dimethylazetidin-1-yl)pentan-1-ol

C10H21NO — CID 107319640

IUPAC5-(3,3-dimethylazetidin-1-yl)pentan-1-ol
SMILESCC1(C)CN(CCCCCO)C1
InChIInChI=1S/C10H21NO/c1-10(2)8-11(9-10)6-4-3-5-7-12/h12H,3-9H2,1-2H3
InChIKeyBTPLSLVVRDEWLH-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds5

About 5-(3,3-dimethylazetidin-1-yl)pentan-1-ol

5-(3,3-dimethylazetidin-1-yl)pentan-1-ol (PubChem CID 107319640) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 5-(3,3-dimethylazetidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(3,3-dimethylazetidin-1-yl)pentan-1-ol
PubChem CID107319640
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name5-(3,3-dimethylazetidin-1-yl)pentan-1-ol
SMILESCC1(C)CN(CCCCCO)C1
InChIInChI=1S/C10H21NO/c1-10(2)8-11(9-10)6-4-3-5-7-12/h12H,3-9H2,1-2H3
InChIKeyBTPLSLVVRDEWLH-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-ol
CID 102745117
7-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)heptan-1-ol
CID 171637866
5-(3,3-dipropylazetidin-1-yl)pentan-1-ol
CID 107319611
2-[2-(3,3-dimethylazetidin-1-yl)ethoxy]ethanol
CID 104549344
ethane;7-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)heptan-1-ol;vanadium
CID 171637865
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexan-1-ol
CID 107849721
4-(2,2-dimethylmorpholin-4-yl)butan-1-ol
CID 43593140
10-piperidin-1-yldecan-1-ol
CID 22218518
6-(azacyclotridec-1-yl)hexan-1-ol
CID 101161993
2-(3,3-dimethylazetidin-1-yl)ethanamine
CID 55289245
6-(4-aminopiperidin-1-yl)hexan-1-ol
CID 70276836

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylazetidin-1-yl)pentan-1-ol?
The IUPAC name of 5-(3,3-dimethylazetidin-1-yl)pentan-1-ol (CID 107319640) is 5-(3,3-dimethylazetidin-1-yl)pentan-1-ol.
What is the SMILES notation for 5-(3,3-dimethylazetidin-1-yl)pentan-1-ol?
The canonical SMILES for 5-(3,3-dimethylazetidin-1-yl)pentan-1-ol is CC1(C)CN(CCCCCO)C1.
What is the InChIKey of 5-(3,3-dimethylazetidin-1-yl)pentan-1-ol?
The InChIKey is BTPLSLVVRDEWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2)8-11(9-10)6-4-3-5-7-12/h12H,3-9H2,1-2H3.
What are the key properties of 5-(3,3-dimethylazetidin-1-yl)pentan-1-ol?
5-(3,3-dimethylazetidin-1-yl)pentan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylazetidin-1-yl)pentan-1-ol is sourced from PubChem (CID 107319640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).