1-cycloheptyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine

C13H25N3S — CID 79497121

IUPAC1-cycloheptyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
SMILESCSCCC1CN=C(N)N1C1CCCCCC1
InChIInChI=1S/C13H25N3S/c1-17-9-8-12-10-15-13(14)16(12)11-6-4-2-3-5-7-11/h11-12H,2-10H2,1H3,(H2,14,15)
InChIKeyFTFABJNBUNFEDE-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.46
Rot. Bonds4

About 1-cycloheptyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine

1-cycloheptyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79497121) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 1-cycloheptyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
PubChem CID79497121
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name1-cycloheptyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
SMILESCSCCC1CN=C(N)N1C1CCCCCC1
InChIInChI=1S/C13H25N3S/c1-17-9-8-12-10-15-13(14)16(12)11-6-4-2-3-5-7-11/h11-12H,2-10H2,1H3,(H2,14,15)
InChIKeyFTFABJNBUNFEDE-UHFFFAOYSA-N
XLogP2.46
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-cycloheptyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine (CID 79497121) is 1-cycloheptyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-cycloheptyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-cycloheptyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine is CSCCC1CN=C(N)N1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is FTFABJNBUNFEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-17-9-8-12-10-15-13(14)16(12)11-6-4-2-3-5-7-11/h11-12H,2-10H2,1H3,(H2,14,15).
What are the key properties of 1-cycloheptyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
1-cycloheptyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79497121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).