(Z)-1-(4,5-dihydroimidazol-1-yl)icos-11-en-1-amine

C23H45N3 — CID 70406845

IUPAC(Z)-1-(4,5-dihydroimidazol-1-yl)icos-11-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCCC(N)N1C=NCC1
InChIInChI=1S/C23H45N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(24)26-21-20-25-22-26/h9-10,22-23H,2-8,11-21,24H2,1H3/b10-9-
InChIKeyHPLOAVUXUPXUEA-KTKRTIGZSA-N
MW363.63 g/mol
LogP6.43
Rot. Bonds18

About (Z)-1-(4,5-dihydroimidazol-1-yl)icos-11-en-1-amine

(Z)-1-(4,5-dihydroimidazol-1-yl)icos-11-en-1-amine (PubChem CID 70406845) has the molecular formula C23H45N3 and a molecular weight of 363.63 g/mol. Its IUPAC name is (Z)-1-(4,5-dihydroimidazol-1-yl)icos-11-en-1-amine.

Molecular Properties

Compound Name(Z)-1-(4,5-dihydroimidazol-1-yl)icos-11-en-1-amine
PubChem CID70406845
Molecular FormulaC23H45N3
Molecular Weight363.63 g/mol
Exact Mass363.36
IUPAC Name(Z)-1-(4,5-dihydroimidazol-1-yl)icos-11-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCCC(N)N1C=NCC1
InChIInChI=1S/C23H45N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(24)26-21-20-25-22-26/h9-10,22-23H,2-8,11-21,24H2,1H3/b10-9-
InChIKeyHPLOAVUXUPXUEA-KTKRTIGZSA-N
XLogP6.43
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4,5-dihydroimidazol-1-yl)icos-11-en-1-amine?
The IUPAC name of (Z)-1-(4,5-dihydroimidazol-1-yl)icos-11-en-1-amine (CID 70406845) is (Z)-1-(4,5-dihydroimidazol-1-yl)icos-11-en-1-amine.
What is the SMILES notation for (Z)-1-(4,5-dihydroimidazol-1-yl)icos-11-en-1-amine?
The canonical SMILES for (Z)-1-(4,5-dihydroimidazol-1-yl)icos-11-en-1-amine is CCCCCCCC/C=C\CCCCCCCCCC(N)N1C=NCC1.
What is the InChIKey of (Z)-1-(4,5-dihydroimidazol-1-yl)icos-11-en-1-amine?
The InChIKey is HPLOAVUXUPXUEA-KTKRTIGZSA-N. The full InChI is InChI=1S/C23H45N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(24)26-21-20-25-22-26/h9-10,22-23H,2-8,11-21,24H2,1H3/b10-9-.
What are the key properties of (Z)-1-(4,5-dihydroimidazol-1-yl)icos-11-en-1-amine?
(Z)-1-(4,5-dihydroimidazol-1-yl)icos-11-en-1-amine has a molecular weight of 363.63 g/mol, XLogP of 6.43, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4,5-dihydroimidazol-1-yl)icos-11-en-1-amine is sourced from PubChem (CID 70406845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).