(Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine

C25H50N4 — CID 70406814

IUPAC(Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine
SMILESCCCCCCCC/C=C\CCCCCCCCCC(N)NCCN1C=NCC1
InChIInChI=1S/C25H50N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(26)28-21-23-29-22-20-27-24-29/h9-10,24-25,28H,2-8,11-23,26H2,1H3/b10-9-
InChIKeyWLLFRIVGSKKFIR-KTKRTIGZSA-N
MW406.70 g/mol
LogP6.02
Rot. Bonds21

About (Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine

(Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine (PubChem CID 70406814) has the molecular formula C25H50N4 and a molecular weight of 406.70 g/mol. Its IUPAC name is (Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine.

Molecular Properties

Compound Name(Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine
PubChem CID70406814
Molecular FormulaC25H50N4
Molecular Weight406.70 g/mol
Exact Mass406.40
IUPAC Name(Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine
SMILESCCCCCCCC/C=C\CCCCCCCCCC(N)NCCN1C=NCC1
InChIInChI=1S/C25H50N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(26)28-21-23-29-22-20-27-24-29/h9-10,24-25,28H,2-8,11-23,26H2,1H3/b10-9-
InChIKeyWLLFRIVGSKKFIR-KTKRTIGZSA-N
XLogP6.02
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.70
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole
CID 141148808
octadec-9-enoic acid;1-octadec-9-enyl-4,5-dihydroimidazole
CID 70617412
1-heptyl-4,5-dihydroimidazole
CID 19733963
N-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine
CID 70630186
sodium 1-dodecyl-4,5-dihydroimidazole
CID 172834119
azane;1-hexadecyl-4,5-dihydroimidazole
CID 174750649
azane;1-tetradecyl-4,5-dihydroimidazole
CID 174807620
N-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine
CID 67857827
(Z)-1-N'-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]icos-11-ene-1,1-diamine
CID 70406813
1-tricos-8-en-7-yl-4,5-dihydroimidazole
CID 69115156
ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole
CID 174904946
azane;1-nonadec-4-en-2-yl-4,5-dihydroimidazole
CID 174771585

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine?
The IUPAC name of (Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine (CID 70406814) is (Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine.
What is the SMILES notation for (Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine?
The canonical SMILES for (Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine is CCCCCCCC/C=C\CCCCCCCCCC(N)NCCN1C=NCC1.
What is the InChIKey of (Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine?
The InChIKey is WLLFRIVGSKKFIR-KTKRTIGZSA-N. The full InChI is InChI=1S/C25H50N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(26)28-21-23-29-22-20-27-24-29/h9-10,24-25,28H,2-8,11-23,26H2,1H3/b10-9-.
What are the key properties of (Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine?
(Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine has a molecular weight of 406.70 g/mol, XLogP of 6.02, 21 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine is sourced from PubChem (CID 70406814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).