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

C25H50N4 — CID 70406813

IUPAC(Z)-1-N'-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]icos-11-ene-1,1-diamine
SMILESCCCCCCCC/C=C\CCCCCCCCCC(N)NCCC1=NCCN1
InChIInChI=1S/C25H50N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(26)27-21-20-25-28-22-23-29-25/h9-10,24,27H,2-8,11-23,26H2,1H3,(H,28,29)/b10-9-
InChIKeyDWTFYHXWMSJHJN-KTKRTIGZSA-N
MW406.70 g/mol
LogP6.07
Rot. Bonds21

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

(Z)-1-N'-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]icos-11-ene-1,1-diamine (PubChem CID 70406813) has the molecular formula C25H50N4 and a molecular weight of 406.70 g/mol. Its IUPAC name is (Z)-1-N'-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]icos-11-ene-1,1-diamine.

Molecular Properties

Compound Name(Z)-1-N'-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]icos-11-ene-1,1-diamine
PubChem CID70406813
Molecular FormulaC25H50N4
Molecular Weight406.70 g/mol
Exact Mass406.40
IUPAC Name(Z)-1-N'-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]icos-11-ene-1,1-diamine
SMILESCCCCCCCC/C=C\CCCCCCCCCC(N)NCCC1=NCCN1
InChIInChI=1S/C25H50N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(26)27-21-20-25-28-22-23-29-25/h9-10,24,27H,2-8,11-23,26H2,1H3,(H,28,29)/b10-9-
InChIKeyDWTFYHXWMSJHJN-KTKRTIGZSA-N
XLogP6.07
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.70
LogP ≤ 56.07
H-Bond Donors ≤ 53
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'}

Analyze (Z)-1-N'-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]icos-11-ene-1,1-diamine with MolForge

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Related Compounds

2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 66957865
N-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]octan-1-amine
CID 129144601
(Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine
CID 70406814
1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyloctadec-9-en-1-one
CID 70346591
2-[1-(4,5-dihydro-1H-imidazol-2-yl)tridec-2-enyl]-4,5-dihydro-1H-imidazole
CID 150338397
heptatriaconta-6,28-dien-19-amine
CID 123539967
17-(4,5-dihydro-1H-imidazol-2-yl)heptadec-15-en-1-amine
CID 118296081
1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicosan-1-amine
CID 67644181
1-(2-octyl-4,5-dihydroimidazol-1-yl)ethanamine;2-undecyl-4,5-dihydro-1H-imidazole
CID 160698927
N-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-methylicos-11-en-2-yl]octadec-9-enamide
CID 56633350
2,5-dimethyl-4,5-dihydro-1H-imidazole;2-undecyl-4,5-dihydro-1H-imidazole
CID 159869190
(E)-2-methylheptadec-7-ene
CID 173124832

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N'-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]icos-11-ene-1,1-diamine?
The IUPAC name of (Z)-1-N'-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]icos-11-ene-1,1-diamine (CID 70406813) is (Z)-1-N'-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]icos-11-ene-1,1-diamine.
What is the SMILES notation for (Z)-1-N'-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]icos-11-ene-1,1-diamine?
The canonical SMILES for (Z)-1-N'-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]icos-11-ene-1,1-diamine is CCCCCCCC/C=C\CCCCCCCCCC(N)NCCC1=NCCN1.
What is the InChIKey of (Z)-1-N'-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]icos-11-ene-1,1-diamine?
The InChIKey is DWTFYHXWMSJHJN-KTKRTIGZSA-N. The full InChI is InChI=1S/C25H50N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(26)27-21-20-25-28-22-23-29-25/h9-10,24,27H,2-8,11-23,26H2,1H3,(H,28,29)/b10-9-.
What are the key properties of (Z)-1-N'-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]icos-11-ene-1,1-diamine?
(Z)-1-N'-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]icos-11-ene-1,1-diamine has a molecular weight of 406.70 g/mol, XLogP of 6.07, 21 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N'-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]icos-11-ene-1,1-diamine is sourced from PubChem (CID 70406813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).