N-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine

C21H41N3 — CID 67857827

IUPACN-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCNN1C=NCC1
InChIInChI=1S/C21H41N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-24-20-19-22-21-24/h9-10,21,23H,2-8,11-20H2,1H3/b10-9-
InChIKeySOWHZUWHJYWUGP-KTKRTIGZSA-N
MW335.58 g/mol
LogP5.87
Rot. Bonds17

About N-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine

N-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine (PubChem CID 67857827) has the molecular formula C21H41N3 and a molecular weight of 335.58 g/mol. Its IUPAC name is N-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine.

Molecular Properties

Compound NameN-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine
PubChem CID67857827
Molecular FormulaC21H41N3
Molecular Weight335.58 g/mol
Exact Mass335.33
IUPAC NameN-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCNN1C=NCC1
InChIInChI=1S/C21H41N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-24-20-19-22-21-24/h9-10,21,23H,2-8,11-20H2,1H3/b10-9-
InChIKeySOWHZUWHJYWUGP-KTKRTIGZSA-N
XLogP5.87
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 55.87
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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Related Compounds

1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole
CID 141148808
3-(4,5-dihydroimidazol-1-ylamino)nonadec-4-en-1-ol
CID 70536122
azane;1-nonadec-4-en-2-yl-4,5-dihydroimidazole
CID 174771585
(Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine
CID 70406814
1-[(E)-nonadec-3-en-3-yl]-4,5-dihydroimidazole
CID 70491830
octadec-9-enoic acid;1-octadec-9-enyl-4,5-dihydroimidazole
CID 70617412
1-tricos-8-en-7-yl-4,5-dihydroimidazole
CID 69115156
(Z)-N-hexadecyloctadec-9-en-1-amine
CID 86624385
(Z)-N-[(Z)-octadec-9-enyl]henicos-12-en-1-amine
CID 146653047
(E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine
CID 162361236
1-[(E)-octadec-9-en-9-yl]-4,5-dihydroimidazole
CID 70481755
(12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine
CID 129018541

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine?
The IUPAC name of N-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine (CID 67857827) is N-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine.
What is the SMILES notation for N-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine?
The canonical SMILES for N-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine is CCCCCCCC/C=C\CCCCCCCCNN1C=NCC1.
What is the InChIKey of N-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine?
The InChIKey is SOWHZUWHJYWUGP-KTKRTIGZSA-N. The full InChI is InChI=1S/C21H41N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-24-20-19-22-21-24/h9-10,21,23H,2-8,11-20H2,1H3/b10-9-.
What are the key properties of N-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine?
N-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine has a molecular weight of 335.58 g/mol, XLogP of 5.87, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine is sourced from PubChem (CID 67857827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).