N-[8-(2-ethyl-4,5-dihydro-1H-imidazol-5-yl)-6-methyloct-5-en-3-yl]methanimine

C15H27N3 — CID 91571202

IUPACN-[8-(2-ethyl-4,5-dihydro-1H-imidazol-5-yl)-6-methyloct-5-en-3-yl]methanimine
SMILESC=NC(CC)CC=C(C)CCC1CN=C(CC)N1
InChIInChI=1S/C15H27N3/c1-5-13(16-4)9-7-12(3)8-10-14-11-17-15(6-2)18-14/h7,13-14H,4-6,8-11H2,1-3H3,(H,17,18)
InChIKeyDSAGPBFJMUVKAQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.36
Rot. Bonds8

About N-[8-(2-ethyl-4,5-dihydro-1H-imidazol-5-yl)-6-methyloct-5-en-3-yl]methanimine

N-[8-(2-ethyl-4,5-dihydro-1H-imidazol-5-yl)-6-methyloct-5-en-3-yl]methanimine (PubChem CID 91571202) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[8-(2-ethyl-4,5-dihydro-1H-imidazol-5-yl)-6-methyloct-5-en-3-yl]methanimine.

Molecular Properties

Compound NameN-[8-(2-ethyl-4,5-dihydro-1H-imidazol-5-yl)-6-methyloct-5-en-3-yl]methanimine
PubChem CID91571202
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[8-(2-ethyl-4,5-dihydro-1H-imidazol-5-yl)-6-methyloct-5-en-3-yl]methanimine
SMILESC=NC(CC)CC=C(C)CCC1CN=C(CC)N1
InChIInChI=1S/C15H27N3/c1-5-13(16-4)9-7-12(3)8-10-14-11-17-15(6-2)18-14/h7,13-14H,4-6,8-11H2,1-3H3,(H,17,18)
InChIKeyDSAGPBFJMUVKAQ-UHFFFAOYSA-N
XLogP3.36
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Cyclohexenylmethylimidazoline
CID 24839055
2-[4-(2,3-dihydro-1H-pyrrol-5-yl)butyl]-4,5-dihydro-1H-imidazole
CID 22886486
5-methyl-2-octadec-9-enyl-4,5-dihydro-1H-imidazole
CID 53822875
2,5-bis(octadec-9-enyl)-4,5-dihydro-1H-imidazole
CID 53832502
1-(4,5-dihydro-1H-imidazol-2-yl)icos-11-en-1-amine
CID 53966111
2-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine
CID 54415335
19-(4,5-dihydro-1H-imidazol-2-yl)nonadec-17-en-2-amine
CID 57169148
1-methyl-2-[(E)-undec-8-enyl]-4,5-dihydro-1H-imidazol-1-ium
CID 59944074
1-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine
CID 67644241
5-ethyl-2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole
CID 67674679
2,5-bis[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole
CID 68006679
5-butyl-2-heptadec-2-enyl-4,5-dihydro-1H-imidazole
CID 68113524

Frequently Asked Questions

What is the IUPAC name of N-[8-(2-ethyl-4,5-dihydro-1H-imidazol-5-yl)-6-methyloct-5-en-3-yl]methanimine?
The IUPAC name of N-[8-(2-ethyl-4,5-dihydro-1H-imidazol-5-yl)-6-methyloct-5-en-3-yl]methanimine (CID 91571202) is N-[8-(2-ethyl-4,5-dihydro-1H-imidazol-5-yl)-6-methyloct-5-en-3-yl]methanimine.
What is the SMILES notation for N-[8-(2-ethyl-4,5-dihydro-1H-imidazol-5-yl)-6-methyloct-5-en-3-yl]methanimine?
The canonical SMILES for N-[8-(2-ethyl-4,5-dihydro-1H-imidazol-5-yl)-6-methyloct-5-en-3-yl]methanimine is C=NC(CC)CC=C(C)CCC1CN=C(CC)N1.
What is the InChIKey of N-[8-(2-ethyl-4,5-dihydro-1H-imidazol-5-yl)-6-methyloct-5-en-3-yl]methanimine?
The InChIKey is DSAGPBFJMUVKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-13(16-4)9-7-12(3)8-10-14-11-17-15(6-2)18-14/h7,13-14H,4-6,8-11H2,1-3H3,(H,17,18).
What are the key properties of N-[8-(2-ethyl-4,5-dihydro-1H-imidazol-5-yl)-6-methyloct-5-en-3-yl]methanimine?
N-[8-(2-ethyl-4,5-dihydro-1H-imidazol-5-yl)-6-methyloct-5-en-3-yl]methanimine has a molecular weight of 249.40 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(2-ethyl-4,5-dihydro-1H-imidazol-5-yl)-6-methyloct-5-en-3-yl]methanimine is sourced from PubChem (CID 91571202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).