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

C16H27N3 — CID 79498881

IUPAC1-cycloheptyl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(C2CC=CCC2)N1C1CCCCCC1
InChIInChI=1S/C16H27N3/c17-16-18-12-15(13-8-4-3-5-9-13)19(16)14-10-6-1-2-7-11-14/h3-4,13-15H,1-2,5-12H2,(H2,17,18)
InChIKeyXNICIOFYSAEJIK-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.06
Rot. Bonds2

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

1-cycloheptyl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine (PubChem CID 79498881) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-cycloheptyl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine
PubChem CID79498881
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-cycloheptyl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(C2CC=CCC2)N1C1CCCCCC1
InChIInChI=1S/C16H27N3/c17-16-18-12-15(13-8-4-3-5-9-13)19(16)14-10-6-1-2-7-11-14/h3-4,13-15H,1-2,5-12H2,(H2,17,18)
InChIKeyXNICIOFYSAEJIK-UHFFFAOYSA-N
XLogP3.06
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.06
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-cycloheptyl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-cycloheptyl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine (CID 79498881) is 1-cycloheptyl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-cycloheptyl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-cycloheptyl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine is NC1=NCC(C2CC=CCC2)N1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is XNICIOFYSAEJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c17-16-18-12-15(13-8-4-3-5-9-13)19(16)14-10-6-1-2-7-11-14/h3-4,13-15H,1-2,5-12H2,(H2,17,18).
What are the key properties of 1-cycloheptyl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine?
1-cycloheptyl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-5-cyclohex-3-en-1-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79498881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).