(2-heptadecylimidazolidin-2-yl)methanol

C21H44N2O — CID 141387929

IUPAC(2-heptadecylimidazolidin-2-yl)methanol
SMILESCCCCCCCCCCCCCCCCCC1(CO)NCCN1
InChIInChI=1S/C21H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(20-24)22-18-19-23-21/h22-24H,2-20H2,1H3
InChIKeyOZTCWRVMTDDTJK-UHFFFAOYSA-N
MW340.60 g/mol
LogP5.13
Rot. Bonds17

About (2-heptadecylimidazolidin-2-yl)methanol

(2-heptadecylimidazolidin-2-yl)methanol (PubChem CID 141387929) has the molecular formula C21H44N2O and a molecular weight of 340.60 g/mol. Its IUPAC name is (2-heptadecylimidazolidin-2-yl)methanol.

Molecular Properties

Compound Name(2-heptadecylimidazolidin-2-yl)methanol
PubChem CID141387929
Molecular FormulaC21H44N2O
Molecular Weight340.60 g/mol
Exact Mass340.35
IUPAC Name(2-heptadecylimidazolidin-2-yl)methanol
SMILESCCCCCCCCCCCCCCCCCC1(CO)NCCN1
InChIInChI=1S/C21H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(20-24)22-18-19-23-21/h22-24H,2-20H2,1H3
InChIKeyOZTCWRVMTDDTJK-UHFFFAOYSA-N
XLogP5.13
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.60
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-heptadecylimidazolidin-2-yl) acetate
CID 158895933
[(2S)-2-octyloxiran-2-yl]methanol
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[(2S)-2-tetradecyloxiran-2-yl]methanol
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(1-hexylcyclohexyl)methanol
CID 66024993
ethanol;hexadecane
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ethanol;bis(heptane);bis(hexane)
CID 173110983
methanediol;nonane
CID 159588378
2-butyl-2-hexylpyrrolidine
CID 174534205
(4-octyloxan-4-yl)methanol
CID 66024090
1-heptadecylcyclopropan-1-ol
CID 2802251
(2S,3R,4R,5S)-2-hexyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
CID 164609572
(2S,3R,4R,5S)-2-(hydroxymethyl)-2-nonylpiperidine-3,4,5-triol;hydrochloride
CID 164628094

Frequently Asked Questions

What is the IUPAC name of (2-heptadecylimidazolidin-2-yl)methanol?
The IUPAC name of (2-heptadecylimidazolidin-2-yl)methanol (CID 141387929) is (2-heptadecylimidazolidin-2-yl)methanol.
What is the SMILES notation for (2-heptadecylimidazolidin-2-yl)methanol?
The canonical SMILES for (2-heptadecylimidazolidin-2-yl)methanol is CCCCCCCCCCCCCCCCCC1(CO)NCCN1.
What is the InChIKey of (2-heptadecylimidazolidin-2-yl)methanol?
The InChIKey is OZTCWRVMTDDTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(20-24)22-18-19-23-21/h22-24H,2-20H2,1H3.
What are the key properties of (2-heptadecylimidazolidin-2-yl)methanol?
(2-heptadecylimidazolidin-2-yl)methanol has a molecular weight of 340.60 g/mol, XLogP of 5.13, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-heptadecylimidazolidin-2-yl)methanol is sourced from PubChem (CID 141387929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).