1,3-bis[(Z)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine

C13H24N3+ — CID 162358298

IUPAC1,3-bis[(Z)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine
SMILESCC/C=C\CN1CC[N+](C/C=C\CC)=C1N
InChIInChI=1S/C13H23N3/c1-3-5-7-9-15-11-12-16(13(15)14)10-8-6-4-2/h5-8,14H,3-4,9-12H2,1-2H3/p+1/b7-5-,8-6-
InChIKeyXACGNCGGQCOTCB-SFECMWDFSA-O
MW222.36 g/mol
LogP1.56
Rot. Bonds6

About 1,3-bis[(Z)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine

1,3-bis[(Z)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine (PubChem CID 162358298) has the molecular formula C13H24N3+ and a molecular weight of 222.36 g/mol. Its IUPAC name is 1,3-bis[(Z)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine.

Molecular Properties

Compound Name1,3-bis[(Z)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine
PubChem CID162358298
Molecular FormulaC13H24N3+
Molecular Weight222.36 g/mol
Exact Mass222.20
IUPAC Name1,3-bis[(Z)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine
SMILESCC/C=C\CN1CC[N+](C/C=C\CC)=C1N
InChIInChI=1S/C13H23N3/c1-3-5-7-9-15-11-12-16(13(15)14)10-8-6-4-2/h5-8,14H,3-4,9-12H2,1-2H3/p+1/b7-5-,8-6-
InChIKeyXACGNCGGQCOTCB-SFECMWDFSA-O
XLogP1.56
TPSA32.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
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

2-[2-[(2R)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]ethyl]guanidine
CID 44288343
1-(1-Hept-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine
CID 57248057
N'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321569
N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321570
N'-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 89570433
N'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 123313033
N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 123587776
1-Cyclopenta-2,4-dien-1-yl-4,5-dihydroimidazol-2-amine
CID 141374318
1,3-bis[(E)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine
CID 162358256
N-methyl-1,3-bis[(E)-pent-2-enyl]imidazolidin-2-imine
CID 162358263
2-chloro-1,3-bis[(Z)-pent-2-enyl]-4,5-dihydroimidazol-1-ium
CID 162358265
2-chloro-1,3-bis[(E)-pent-2-enyl]-4,5-dihydroimidazol-1-ium
CID 162358311

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(Z)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine?
The IUPAC name of 1,3-bis[(Z)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine (CID 162358298) is 1,3-bis[(Z)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine.
What is the SMILES notation for 1,3-bis[(Z)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine?
The canonical SMILES for 1,3-bis[(Z)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine is CC/C=C\CN1CC[N+](C/C=C\CC)=C1N.
What is the InChIKey of 1,3-bis[(Z)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine?
The InChIKey is XACGNCGGQCOTCB-SFECMWDFSA-O. The full InChI is InChI=1S/C13H23N3/c1-3-5-7-9-15-11-12-16(13(15)14)10-8-6-4-2/h5-8,14H,3-4,9-12H2,1-2H3/p+1/b7-5-,8-6-.
What are the key properties of 1,3-bis[(Z)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine?
1,3-bis[(Z)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine has a molecular weight of 222.36 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(Z)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine is sourced from PubChem (CID 162358298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).