(5R)-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-nitrosocyclohexyl]methyl]-4H-imidazol-2-amine

C19H34N4O — CID 91518439

IUPAC(5R)-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-nitrosocyclohexyl]methyl]-4H-imidazol-2-amine
SMILESCN1C[C@@](CCC2CCCCC2)(C[C@@H]2CCCC(N=O)C2)N=C1N
InChIInChI=1S/C19H34N4O/c1-23-14-19(21-18(23)20,11-10-15-6-3-2-4-7-15)13-16-8-5-9-17(12-16)22-24/h15-17H,2-14H2,1H3,(H2,20,21)/t16-,17?,19-/m1/s1
InChIKeyPJMBMCIRAVZKKZ-IRQCGSAXSA-N
MW334.51 g/mol
LogP4.06
Rot. Bonds6

About (5R)-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-nitrosocyclohexyl]methyl]-4H-imidazol-2-amine

(5R)-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-nitrosocyclohexyl]methyl]-4H-imidazol-2-amine (PubChem CID 91518439) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is (5R)-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-nitrosocyclohexyl]methyl]-4H-imidazol-2-amine.

Molecular Properties

Compound Name(5R)-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-nitrosocyclohexyl]methyl]-4H-imidazol-2-amine
PubChem CID91518439
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name(5R)-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-nitrosocyclohexyl]methyl]-4H-imidazol-2-amine
SMILESCN1C[C@@](CCC2CCCCC2)(C[C@@H]2CCCC(N=O)C2)N=C1N
InChIInChI=1S/C19H34N4O/c1-23-14-19(21-18(23)20,11-10-15-6-3-2-4-7-15)13-16-8-5-9-17(12-16)22-24/h15-17H,2-14H2,1H3,(H2,20,21)/t16-,17?,19-/m1/s1
InChIKeyPJMBMCIRAVZKKZ-IRQCGSAXSA-N
XLogP4.06
TPSA71.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-nitrosocyclohexyl]methyl]-4H-imidazol-2-amine?
The IUPAC name of (5R)-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-nitrosocyclohexyl]methyl]-4H-imidazol-2-amine (CID 91518439) is (5R)-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-nitrosocyclohexyl]methyl]-4H-imidazol-2-amine.
What is the SMILES notation for (5R)-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-nitrosocyclohexyl]methyl]-4H-imidazol-2-amine?
The canonical SMILES for (5R)-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-nitrosocyclohexyl]methyl]-4H-imidazol-2-amine is CN1C[C@@](CCC2CCCCC2)(C[C@@H]2CCCC(N=O)C2)N=C1N.
What is the InChIKey of (5R)-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-nitrosocyclohexyl]methyl]-4H-imidazol-2-amine?
The InChIKey is PJMBMCIRAVZKKZ-IRQCGSAXSA-N. The full InChI is InChI=1S/C19H34N4O/c1-23-14-19(21-18(23)20,11-10-15-6-3-2-4-7-15)13-16-8-5-9-17(12-16)22-24/h15-17H,2-14H2,1H3,(H2,20,21)/t16-,17?,19-/m1/s1.
What are the key properties of (5R)-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-nitrosocyclohexyl]methyl]-4H-imidazol-2-amine?
(5R)-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-nitrosocyclohexyl]methyl]-4H-imidazol-2-amine has a molecular weight of 334.51 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-cyclohexylethyl)-3-methyl-5-[[(1R)-3-nitrosocyclohexyl]methyl]-4H-imidazol-2-amine is sourced from PubChem (CID 91518439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).