N-tert-butyl-1-[(E)-hex-3-enyl]-4,5-dihydroimidazol-2-amine

C13H25N3 — CID 177282371

IUPACN-tert-butyl-1-[(E)-hex-3-enyl]-4,5-dihydroimidazol-2-amine
SMILESCC/C=C/CCN1CCN=C1NC(C)(C)C
InChIInChI=1S/C13H25N3/c1-5-6-7-8-10-16-11-9-14-12(16)15-13(2,3)4/h6-7H,5,8-11H2,1-4H3,(H,14,15)/b7-6+
InChIKeyXXXIYYDUABDGDI-VOTSOKGWSA-N
MW223.36 g/mol
LogP2.40
Rot. Bonds4

About N-tert-butyl-1-[(E)-hex-3-enyl]-4,5-dihydroimidazol-2-amine

N-tert-butyl-1-[(E)-hex-3-enyl]-4,5-dihydroimidazol-2-amine (PubChem CID 177282371) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-tert-butyl-1-[(E)-hex-3-enyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-1-[(E)-hex-3-enyl]-4,5-dihydroimidazol-2-amine
PubChem CID177282371
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-tert-butyl-1-[(E)-hex-3-enyl]-4,5-dihydroimidazol-2-amine
SMILESCC/C=C/CCN1CCN=C1NC(C)(C)C
InChIInChI=1S/C13H25N3/c1-5-6-7-8-10-16-11-9-14-12(16)15-13(2,3)4/h6-7H,5,8-11H2,1-4H3,(H,14,15)/b7-6+
InChIKeyXXXIYYDUABDGDI-VOTSOKGWSA-N
XLogP2.40
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-4-methylpent-2-enyl]-4,5-dihydro-1H-imidazol-2-amine
CID 60052226
1-(4-Methyl-1-pent-2-enyl-4,5-dihydroimidazol-2-yl)piperazine
CID 90905574
1,3-bis[(E)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine
CID 162358256
1,3-bis[(Z)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine
CID 162358298
N-methyl-1-[(E)-pent-2-enyl]imidazolidin-2-imine
CID 166858609
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-methyl-3-[(Z)-pent-2-enyl]imidazolidin-2-imine
CID 168820021
N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-4,5-dihydroimidazol-2-amine
CID 168820146
1-[(E)-pent-2-enyl]-N-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 169970166
N-tert-butyl-N-methyl-1,3-bis[(E)-pent-2-enyl]-4,5-dihydroimidazol-1-ium-2-amine
CID 176863785
N-tert-butyl-1-[(E)-hex-3-enyl]-3-methylimidazolidin-2-imine
CID 177282367

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[(E)-hex-3-enyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-tert-butyl-1-[(E)-hex-3-enyl]-4,5-dihydroimidazol-2-amine (CID 177282371) is N-tert-butyl-1-[(E)-hex-3-enyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-tert-butyl-1-[(E)-hex-3-enyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-tert-butyl-1-[(E)-hex-3-enyl]-4,5-dihydroimidazol-2-amine is CC/C=C/CCN1CCN=C1NC(C)(C)C.
What is the InChIKey of N-tert-butyl-1-[(E)-hex-3-enyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is XXXIYYDUABDGDI-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-6-7-8-10-16-11-9-14-12(16)15-13(2,3)4/h6-7H,5,8-11H2,1-4H3,(H,14,15)/b7-6+.
What are the key properties of N-tert-butyl-1-[(E)-hex-3-enyl]-4,5-dihydroimidazol-2-amine?
N-tert-butyl-1-[(E)-hex-3-enyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[(E)-hex-3-enyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 177282371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).