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

C12H23N3 — CID 168819944

IUPACN-tert-butyl-1-[(E)-pent-2-enyl]-4,5-dihydroimidazol-2-amine
SMILESCC/C=C/CN1CCN=C1NC(C)(C)C
InChIInChI=1S/C12H23N3/c1-5-6-7-9-15-10-8-13-11(15)14-12(2,3)4/h6-7H,5,8-10H2,1-4H3,(H,13,14)/b7-6+
InChIKeySEPKLIDKNQDASS-VOTSOKGWSA-N
MW209.34 g/mol
LogP2.01
Rot. Bonds3

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

N-tert-butyl-1-[(E)-pent-2-enyl]-4,5-dihydroimidazol-2-amine (PubChem CID 168819944) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-tert-butyl-1-[(E)-pent-2-enyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-1-[(E)-pent-2-enyl]-4,5-dihydroimidazol-2-amine
PubChem CID168819944
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-tert-butyl-1-[(E)-pent-2-enyl]-4,5-dihydroimidazol-2-amine
SMILESCC/C=C/CN1CCN=C1NC(C)(C)C
InChIInChI=1S/C12H23N3/c1-5-6-7-9-15-10-8-13-11(15)14-12(2,3)4/h6-7H,5,8-10H2,1-4H3,(H,13,14)/b7-6+
InChIKeySEPKLIDKNQDASS-VOTSOKGWSA-N
XLogP2.01
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[(E)-pent-2-enyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-tert-butyl-1-[(E)-pent-2-enyl]-4,5-dihydroimidazol-2-amine (CID 168819944) is N-tert-butyl-1-[(E)-pent-2-enyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-tert-butyl-1-[(E)-pent-2-enyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-tert-butyl-1-[(E)-pent-2-enyl]-4,5-dihydroimidazol-2-amine is CC/C=C/CN1CCN=C1NC(C)(C)C.
What is the InChIKey of N-tert-butyl-1-[(E)-pent-2-enyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is SEPKLIDKNQDASS-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-6-7-9-15-10-8-13-11(15)14-12(2,3)4/h6-7H,5,8-10H2,1-4H3,(H,13,14)/b7-6+.
What are the key properties of N-tert-butyl-1-[(E)-pent-2-enyl]-4,5-dihydroimidazol-2-amine?
N-tert-butyl-1-[(E)-pent-2-enyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.01, 3 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)-pent-2-enyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 168819944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).