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

C14H29NO — CID 107319611

IUPAC5-(3,3-dipropylazetidin-1-yl)pentan-1-ol
SMILESCCCC1(CCC)CN(CCCCCO)C1
InChIInChI=1S/C14H29NO/c1-3-8-14(9-4-2)12-15(13-14)10-6-5-7-11-16/h16H,3-13H2,1-2H3
InChIKeyULNVTBUQEZFKLU-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.05
Rot. Bonds9

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

5-(3,3-dipropylazetidin-1-yl)pentan-1-ol (PubChem CID 107319611) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 5-(3,3-dipropylazetidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(3,3-dipropylazetidin-1-yl)pentan-1-ol
PubChem CID107319611
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name5-(3,3-dipropylazetidin-1-yl)pentan-1-ol
SMILESCCCC1(CCC)CN(CCCCCO)C1
InChIInChI=1S/C14H29NO/c1-3-8-14(9-4-2)12-15(13-14)10-6-5-7-11-16/h16H,3-13H2,1-2H3
InChIKeyULNVTBUQEZFKLU-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.05
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

5-(3,3-dimethylazetidin-1-yl)pentan-1-ol
CID 107319640
7-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)heptan-1-ol
CID 171637866
ethane;7-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)heptan-1-ol;vanadium
CID 171637865
5-(3-propyloxetan-3-yl)pentan-1-ol
CID 68635541
4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-ol
CID 102745117
2-[3,3-bis[(9Z,12Z)-octadeca-9,12-dienyl]azetidin-1-yl]ethanol;hydrochloride
CID 175960850
4-(4-octylpiperidin-1-yl)butan-1-ol
CID 71395098
4-(4-nonylpiperidin-1-yl)butan-1-ol
CID 71395100
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
3,3-dibutyl-1-(2-chloroethyl)azetidine;hydrochloride
CID 21449995
4-(4-octylpiperidin-1-yl)butan-1-ol;hydrochloride
CID 71395097

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dipropylazetidin-1-yl)pentan-1-ol?
The IUPAC name of 5-(3,3-dipropylazetidin-1-yl)pentan-1-ol (CID 107319611) is 5-(3,3-dipropylazetidin-1-yl)pentan-1-ol.
What is the SMILES notation for 5-(3,3-dipropylazetidin-1-yl)pentan-1-ol?
The canonical SMILES for 5-(3,3-dipropylazetidin-1-yl)pentan-1-ol is CCCC1(CCC)CN(CCCCCO)C1.
What is the InChIKey of 5-(3,3-dipropylazetidin-1-yl)pentan-1-ol?
The InChIKey is ULNVTBUQEZFKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-8-14(9-4-2)12-15(13-14)10-6-5-7-11-16/h16H,3-13H2,1-2H3.
What are the key properties of 5-(3,3-dipropylazetidin-1-yl)pentan-1-ol?
5-(3,3-dipropylazetidin-1-yl)pentan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dipropylazetidin-1-yl)pentan-1-ol is sourced from PubChem (CID 107319611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).