N-[(1-heptan-4-yl-5-methylidene-4H-imidazol-2-yl)methyl]propan-2-amine;(Z)-pent-2-ene

C20H39N3 — CID 142133887

IUPACN-[(1-heptan-4-yl-5-methylidene-4H-imidazol-2-yl)methyl]propan-2-amine;(Z)-pent-2-ene
SMILESC/C=C\CC.C=C1CN=C(CNC(C)C)N1C(CCC)CCC
InChIInChI=1S/C15H29N3.C5H10/c1-6-8-14(9-7-2)18-13(5)10-17-15(18)11-16-12(3)4;1-3-5-4-2/h12,14,16H,5-11H2,1-4H3;3,5H,4H2,1-2H3/b;5-3-
InChIKeyMBPPISVNURCYNA-PJAIOPLOSA-N
MW321.55 g/mol
LogP5.15
Rot. Bonds9

About N-[(1-heptan-4-yl-5-methylidene-4H-imidazol-2-yl)methyl]propan-2-amine;(Z)-pent-2-ene

N-[(1-heptan-4-yl-5-methylidene-4H-imidazol-2-yl)methyl]propan-2-amine;(Z)-pent-2-ene (PubChem CID 142133887) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is N-[(1-heptan-4-yl-5-methylidene-4H-imidazol-2-yl)methyl]propan-2-amine;(Z)-pent-2-ene.

Molecular Properties

Compound NameN-[(1-heptan-4-yl-5-methylidene-4H-imidazol-2-yl)methyl]propan-2-amine;(Z)-pent-2-ene
PubChem CID142133887
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC NameN-[(1-heptan-4-yl-5-methylidene-4H-imidazol-2-yl)methyl]propan-2-amine;(Z)-pent-2-ene
SMILESC/C=C\CC.C=C1CN=C(CNC(C)C)N1C(CCC)CCC
InChIInChI=1S/C15H29N3.C5H10/c1-6-8-14(9-7-2)18-13(5)10-17-15(18)11-16-12(3)4;1-3-5-4-2/h12,14,16H,5-11H2,1-4H3;3,5H,4H2,1-2H3/b;5-3-
InChIKeyMBPPISVNURCYNA-PJAIOPLOSA-N
XLogP5.15
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1-heptan-4-yl-5-methylidene-4H-imidazol-2-yl)methyl]propan-2-amine;(Z)-pent-2-ene with MolForge

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Related Compounds

3-methyl-2-octadec-9-enyl-4,5-dihydro-1H-imidazol-3-ium
CID 53723649
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
2,5-bis(heptadec-1-enyl)-4,5-dihydro-1H-imidazole
CID 54120921
2-(5-heptadec-1-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine
CID 54159674
2-(4,5-Dibutyl-2-tetradec-4-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 54260017
3-ethyl-2-octadec-9-enyl-4,5-dihydro-1H-imidazol-3-ium
CID 54336300
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-(2-heptadec-2-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine
CID 66692443
1-(2-octadec-9-enyl-4,5-dihydro-1H-imidazol-5-yl)ethanamine
CID 67644241

Frequently Asked Questions

What is the IUPAC name of N-[(1-heptan-4-yl-5-methylidene-4H-imidazol-2-yl)methyl]propan-2-amine;(Z)-pent-2-ene?
The IUPAC name of N-[(1-heptan-4-yl-5-methylidene-4H-imidazol-2-yl)methyl]propan-2-amine;(Z)-pent-2-ene (CID 142133887) is N-[(1-heptan-4-yl-5-methylidene-4H-imidazol-2-yl)methyl]propan-2-amine;(Z)-pent-2-ene.
What is the SMILES notation for N-[(1-heptan-4-yl-5-methylidene-4H-imidazol-2-yl)methyl]propan-2-amine;(Z)-pent-2-ene?
The canonical SMILES for N-[(1-heptan-4-yl-5-methylidene-4H-imidazol-2-yl)methyl]propan-2-amine;(Z)-pent-2-ene is C/C=C\CC.C=C1CN=C(CNC(C)C)N1C(CCC)CCC.
What is the InChIKey of N-[(1-heptan-4-yl-5-methylidene-4H-imidazol-2-yl)methyl]propan-2-amine;(Z)-pent-2-ene?
The InChIKey is MBPPISVNURCYNA-PJAIOPLOSA-N. The full InChI is InChI=1S/C15H29N3.C5H10/c1-6-8-14(9-7-2)18-13(5)10-17-15(18)11-16-12(3)4;1-3-5-4-2/h12,14,16H,5-11H2,1-4H3;3,5H,4H2,1-2H3/b;5-3-.
What are the key properties of N-[(1-heptan-4-yl-5-methylidene-4H-imidazol-2-yl)methyl]propan-2-amine;(Z)-pent-2-ene?
N-[(1-heptan-4-yl-5-methylidene-4H-imidazol-2-yl)methyl]propan-2-amine;(Z)-pent-2-ene has a molecular weight of 321.55 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-heptan-4-yl-5-methylidene-4H-imidazol-2-yl)methyl]propan-2-amine;(Z)-pent-2-ene is sourced from PubChem (CID 142133887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).