1-(3-methylimidazolidin-1-yl)tridecan-1-ol

C17H36N2O — CID 150165158

IUPAC1-(3-methylimidazolidin-1-yl)tridecan-1-ol
SMILESCCCCCCCCCCCCC(O)N1CCN(C)C1
InChIInChI=1S/C17H36N2O/c1-3-4-5-6-7-8-9-10-11-12-13-17(20)19-15-14-18(2)16-19/h17,20H,3-16H2,1-2H3
InChIKeyFIGIHESOAGVCCY-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.82
Rot. Bonds12

About 1-(3-methylimidazolidin-1-yl)tridecan-1-ol

1-(3-methylimidazolidin-1-yl)tridecan-1-ol (PubChem CID 150165158) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-(3-methylimidazolidin-1-yl)tridecan-1-ol.

Molecular Properties

Compound Name1-(3-methylimidazolidin-1-yl)tridecan-1-ol
PubChem CID150165158
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name1-(3-methylimidazolidin-1-yl)tridecan-1-ol
SMILESCCCCCCCCCCCCC(O)N1CCN(C)C1
InChIInChI=1S/C17H36N2O/c1-3-4-5-6-7-8-9-10-11-12-13-17(20)19-15-14-18(2)16-19/h17,20H,3-16H2,1-2H3
InChIKeyFIGIHESOAGVCCY-UHFFFAOYSA-N
XLogP3.82
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 68991789
decane;dodecane-1,1-diol
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tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
nonacosane-1,1-diol
CID 23066924
dodecane-1,1-diol;dihydrochloride
CID 87128887
CID 172691644
CID 172691644
1-octadecan-4-ylaziridine
CID 87223215
1-(1,4-dimethylpiperazin-2-yl)decan-1-ol
CID 79658821
methoxymethane;tridecane-1,1-diol
CID 18004105
1-heptan-2-yl-4-methyl-1,4-diazepane
CID 146200465
4-decyltetradecane-1,1-diol
CID 171774122

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazolidin-1-yl)tridecan-1-ol?
The IUPAC name of 1-(3-methylimidazolidin-1-yl)tridecan-1-ol (CID 150165158) is 1-(3-methylimidazolidin-1-yl)tridecan-1-ol.
What is the SMILES notation for 1-(3-methylimidazolidin-1-yl)tridecan-1-ol?
The canonical SMILES for 1-(3-methylimidazolidin-1-yl)tridecan-1-ol is CCCCCCCCCCCCC(O)N1CCN(C)C1.
What is the InChIKey of 1-(3-methylimidazolidin-1-yl)tridecan-1-ol?
The InChIKey is FIGIHESOAGVCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-3-4-5-6-7-8-9-10-11-12-13-17(20)19-15-14-18(2)16-19/h17,20H,3-16H2,1-2H3.
What are the key properties of 1-(3-methylimidazolidin-1-yl)tridecan-1-ol?
1-(3-methylimidazolidin-1-yl)tridecan-1-ol has a molecular weight of 284.49 g/mol, XLogP of 3.82, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazolidin-1-yl)tridecan-1-ol is sourced from PubChem (CID 150165158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).