1-ethyl-N-octadecylimidazolidin-2-amine

C23H49N3 — CID 174484158

IUPAC1-ethyl-N-octadecylimidazolidin-2-amine
SMILESCCCCCCCCCCCCCCCCCCNC1NCCN1CC
InChIInChI=1S/C23H49N3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-23-25-21-22-26(23)4-2/h23-25H,3-22H2,1-2H3
InChIKeySSPMRBUYDHSWCJ-UHFFFAOYSA-N
MW367.67 g/mol
LogP6.05
Rot. Bonds19

About 1-ethyl-N-octadecylimidazolidin-2-amine

1-ethyl-N-octadecylimidazolidin-2-amine (PubChem CID 174484158) has the molecular formula C23H49N3 and a molecular weight of 367.67 g/mol. Its IUPAC name is 1-ethyl-N-octadecylimidazolidin-2-amine.

Molecular Properties

Compound Name1-ethyl-N-octadecylimidazolidin-2-amine
PubChem CID174484158
Molecular FormulaC23H49N3
Molecular Weight367.67 g/mol
Exact Mass367.39
IUPAC Name1-ethyl-N-octadecylimidazolidin-2-amine
SMILESCCCCCCCCCCCCCCCCCCNC1NCCN1CC
InChIInChI=1S/C23H49N3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-23-25-21-22-26(23)4-2/h23-25H,3-22H2,1-2H3
InChIKeySSPMRBUYDHSWCJ-UHFFFAOYSA-N
XLogP6.05
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.67
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hexylpiperazine-2,3-diol
CID 174792738
N-hexyl-1-methylpyrrolidin-3-amine
CID 61462127
1-cyclopropyl-N-heptylpiperidin-4-amine
CID 43747044
(3S)-N-heptyl-1-methylpyrrolidin-3-amine
CID 143197817
N-pentadecylpiperazin-1-amine
CID 11690308
N-tetradecyloxiran-2-amine
CID 19419381
N-decyl-1-methylpiperidin-2-amine
CID 151113858
1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine
CID 115566614
2-(2-heptadecylimidazolidin-1-yl)acetic acid
CID 70577882
N-octadecylaziridin-1-amine
CID 56627527
N-octylaziridin-1-amine
CID 175164558
N-dodecylcyclohexanamine
CID 3679395

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-octadecylimidazolidin-2-amine?
The IUPAC name of 1-ethyl-N-octadecylimidazolidin-2-amine (CID 174484158) is 1-ethyl-N-octadecylimidazolidin-2-amine.
What is the SMILES notation for 1-ethyl-N-octadecylimidazolidin-2-amine?
The canonical SMILES for 1-ethyl-N-octadecylimidazolidin-2-amine is CCCCCCCCCCCCCCCCCCNC1NCCN1CC.
What is the InChIKey of 1-ethyl-N-octadecylimidazolidin-2-amine?
The InChIKey is SSPMRBUYDHSWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49N3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-23-25-21-22-26(23)4-2/h23-25H,3-22H2,1-2H3.
What are the key properties of 1-ethyl-N-octadecylimidazolidin-2-amine?
1-ethyl-N-octadecylimidazolidin-2-amine has a molecular weight of 367.67 g/mol, XLogP of 6.05, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-octadecylimidazolidin-2-amine is sourced from PubChem (CID 174484158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).