N-tert-butyl-N-methyl-1,3-bis[(E)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine

C18H34N3+ — CID 176863785

IUPACN-tert-butyl-N-methyl-1,3-bis[(E)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine
SMILESCC/C=C/CN1CC[N+](C/C=C/CC)=C1N(C)C(C)(C)C
InChIInChI=1S/C18H34N3/c1-7-9-11-13-20-15-16-21(14-12-10-8-2)17(20)19(6)18(3,4)5/h9-12H,7-8,13-16H2,1-6H3/q+1/b11-9+,12-10+
InChIKeyDFLMNYXCSPBGCB-WGDLNXRISA-N
MW292.49 g/mol
LogP3.33
Rot. Bonds6

About N-tert-butyl-N-methyl-1,3-bis[(E)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine

N-tert-butyl-N-methyl-1,3-bis[(E)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine (PubChem CID 176863785) has the molecular formula C18H34N3+ and a molecular weight of 292.49 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-1,3-bis[(E)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-1,3-bis[(E)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine
PubChem CID176863785
Molecular FormulaC18H34N3+
Molecular Weight292.49 g/mol
Exact Mass292.27
IUPAC NameN-tert-butyl-N-methyl-1,3-bis[(E)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine
SMILESCC/C=C/CN1CC[N+](C/C=C/CC)=C1N(C)C(C)(C)C
InChIInChI=1S/C18H34N3/c1-7-9-11-13-20-15-16-21(14-12-10-8-2)17(20)19(6)18(3,4)5/h9-12H,7-8,13-16H2,1-6H3/q+1/b11-9+,12-10+
InChIKeyDFLMNYXCSPBGCB-WGDLNXRISA-N
XLogP3.33
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine
CID 162358263
N-methyl-1,3-bis[(Z)-pent-2-enyl]imidazolidin-2-imine
CID 163296299
N,1-dimethyl-3-[(Z)-pent-2-enyl]imidazolidin-2-imine
CID 166858619
N,1-dimethyl-3-[(E)-pent-2-enyl]imidazolidin-2-imine
CID 166858736
[1,3-bis[(E)-pent-2-enyl]imidazolidin-2-ylidene]-dimethylazanium
CID 168167141
N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-3-methylimidazolidin-2-imine
CID 168819910
N-tert-butyl-1-[(4Z,7Z)-deca-4,7-dienyl]-3-methylimidazolidin-2-imine
CID 168819926
N-tert-butyl-1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine
CID 168819929
N-tert-butyl-1-methyl-3-[(E)-pent-2-enyl]imidazolidin-2-imine
CID 168819937
N-tert-butyl-1-[(E)-pent-2-enyl]-4,5-dihydroimidazol-2-amine
CID 168819944
N-tert-butyl-1,3-bis[(Z)-pent-2-enyl]imidazolidin-2-imine
CID 168819947
N-tert-butyl-1-methyl-3-[(Z)-pent-2-enyl]imidazolidin-2-imine
CID 168820021

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-1,3-bis[(E)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine?
The IUPAC name of N-tert-butyl-N-methyl-1,3-bis[(E)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine (CID 176863785) is N-tert-butyl-N-methyl-1,3-bis[(E)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine.
What is the SMILES notation for N-tert-butyl-N-methyl-1,3-bis[(E)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine?
The canonical SMILES for N-tert-butyl-N-methyl-1,3-bis[(E)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine is CC/C=C/CN1CC[N+](C/C=C/CC)=C1N(C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methyl-1,3-bis[(E)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine?
The InChIKey is DFLMNYXCSPBGCB-WGDLNXRISA-N. The full InChI is InChI=1S/C18H34N3/c1-7-9-11-13-20-15-16-21(14-12-10-8-2)17(20)19(6)18(3,4)5/h9-12H,7-8,13-16H2,1-6H3/q+1/b11-9+,12-10+.
What are the key properties of N-tert-butyl-N-methyl-1,3-bis[(E)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine?
N-tert-butyl-N-methyl-1,3-bis[(E)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine has a molecular weight of 292.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-1,3-bis[(E)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine is sourced from PubChem (CID 176863785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).