1-butan-2-yl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine

C13H23N3 — CID 79515117

IUPAC1-butan-2-yl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1C1CC=CCC1
InChIInChI=1S/C13H23N3/c1-3-10(2)16-12(9-15-13(16)14)11-7-5-4-6-8-11/h4-5,10-12H,3,6-9H2,1-2H3,(H2,14,15)
InChIKeyPQDCKMXVRPDKNG-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.14
Rot. Bonds3

About 1-butan-2-yl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine

1-butan-2-yl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine (PubChem CID 79515117) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-butan-2-yl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine
PubChem CID79515117
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-butan-2-yl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1C1CC=CCC1
InChIInChI=1S/C13H23N3/c1-3-10(2)16-12(9-15-13(16)14)11-7-5-4-6-8-11/h4-5,10-12H,3,6-9H2,1-2H3,(H2,14,15)
InChIKeyPQDCKMXVRPDKNG-UHFFFAOYSA-N
XLogP2.14
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.14
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 1-butan-2-yl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-butan-2-yl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine (CID 79515117) is 1-butan-2-yl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-butan-2-yl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-butan-2-yl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine is CCC(C)N1C(N)=NCC1C1CC=CCC1.
What is the InChIKey of 1-butan-2-yl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is PQDCKMXVRPDKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-10(2)16-12(9-15-13(16)14)11-7-5-4-6-8-11/h4-5,10-12H,3,6-9H2,1-2H3,(H2,14,15).
What are the key properties of 1-butan-2-yl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine?
1-butan-2-yl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79515117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).