3-imidazolidin-2-ylicosan-2-amine

C23H49N3 — CID 174722699

IUPAC3-imidazolidin-2-ylicosan-2-amine
SMILESCCCCCCCCCCCCCCCCCC(C(C)N)C1NCCN1
InChIInChI=1S/C23H49N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(21(2)24)23-25-19-20-26-23/h21-23,25-26H,3-20,24H2,1-2H3
InChIKeyJQIRIKCTWJDOQA-UHFFFAOYSA-N
MW367.67 g/mol
LogP5.73
Rot. Bonds18

About 3-imidazolidin-2-ylicosan-2-amine

3-imidazolidin-2-ylicosan-2-amine (PubChem CID 174722699) has the molecular formula C23H49N3 and a molecular weight of 367.67 g/mol. Its IUPAC name is 3-imidazolidin-2-ylicosan-2-amine.

Molecular Properties

Compound Name3-imidazolidin-2-ylicosan-2-amine
PubChem CID174722699
Molecular FormulaC23H49N3
Molecular Weight367.67 g/mol
Exact Mass367.39
IUPAC Name3-imidazolidin-2-ylicosan-2-amine
SMILESCCCCCCCCCCCCCCCCCC(C(C)N)C1NCCN1
InChIInChI=1S/C23H49N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(21(2)24)23-25-19-20-26-23/h21-23,25-26H,3-20,24H2,1-2H3
InChIKeyJQIRIKCTWJDOQA-UHFFFAOYSA-N
XLogP5.73
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.67
LogP ≤ 55.73
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

3-decyltridecan-2-amine;hydrochloride
CID 173130271
dodecan-2-amine;hydrochloride
CID 86195878
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
2-(4-methyloctan-2-yl)imidazolidine
CID 174641886
(2S)-tridecan-2-amine
CID 24884182
(2S)-tetradecan-2-amine
CID 25021238
tetradecane-1,1-diamine;dihydrochloride
CID 21115936
(2S)-nonadecan-2-amine
CID 94864909
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
tetradecan-2-amine;hydrobromide
CID 175070931

Frequently Asked Questions

What is the IUPAC name of 3-imidazolidin-2-ylicosan-2-amine?
The IUPAC name of 3-imidazolidin-2-ylicosan-2-amine (CID 174722699) is 3-imidazolidin-2-ylicosan-2-amine.
What is the SMILES notation for 3-imidazolidin-2-ylicosan-2-amine?
The canonical SMILES for 3-imidazolidin-2-ylicosan-2-amine is CCCCCCCCCCCCCCCCCC(C(C)N)C1NCCN1.
What is the InChIKey of 3-imidazolidin-2-ylicosan-2-amine?
The InChIKey is JQIRIKCTWJDOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(21(2)24)23-25-19-20-26-23/h21-23,25-26H,3-20,24H2,1-2H3.
What are the key properties of 3-imidazolidin-2-ylicosan-2-amine?
3-imidazolidin-2-ylicosan-2-amine has a molecular weight of 367.67 g/mol, XLogP of 5.73, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazolidin-2-ylicosan-2-amine is sourced from PubChem (CID 174722699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).