N-cyclohexyl-4-methyl-1-[2-(3-methylbutoxy)ethyl]imidazol-2-amine

C17H31N3O — CID 106568267

IUPACN-cyclohexyl-4-methyl-1-[2-(3-methylbutoxy)ethyl]imidazol-2-amine
SMILESCc1cn(CCOCCC(C)C)c(NC2CCCCC2)n1
InChIInChI=1S/C17H31N3O/c1-14(2)9-11-21-12-10-20-13-15(3)18-17(20)19-16-7-5-4-6-8-16/h13-14,16H,4-12H2,1-3H3,(H,18,19)
InChIKeyHTDKFVLMFNFKQU-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.00
Rot. Bonds8

About N-cyclohexyl-4-methyl-1-[2-(3-methylbutoxy)ethyl]imidazol-2-amine

N-cyclohexyl-4-methyl-1-[2-(3-methylbutoxy)ethyl]imidazol-2-amine (PubChem CID 106568267) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-cyclohexyl-4-methyl-1-[2-(3-methylbutoxy)ethyl]imidazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-methyl-1-[2-(3-methylbutoxy)ethyl]imidazol-2-amine
PubChem CID106568267
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-cyclohexyl-4-methyl-1-[2-(3-methylbutoxy)ethyl]imidazol-2-amine
SMILESCc1cn(CCOCCC(C)C)c(NC2CCCCC2)n1
InChIInChI=1S/C17H31N3O/c1-14(2)9-11-21-12-10-20-13-15(3)18-17(20)19-16-7-5-4-6-8-16/h13-14,16H,4-12H2,1-3H3,(H,18,19)
InChIKeyHTDKFVLMFNFKQU-UHFFFAOYSA-N
XLogP4.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-4-methyl-1-(5-methylhexyl)imidazol-2-amine
CID 106578468
N-cyclopentyl-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554862
N-cyclohexyl-4-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazol-2-amine
CID 106570476
N-cyclooctyl-4-methyl-1-propylimidazol-2-amine
CID 106557173
N-cyclohexyl-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572074
N-cyclohexyl-1-(2-cyclopropylpropyl)-4-methylimidazol-2-amine
CID 106580223
1-(2-cyclopentyloxyethyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106573164
1-cyclohexyl-4-methyl-N-[2-(3-methylbutoxy)ethyl]imidazol-2-amine
CID 106568244
N-cyclopropyl-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106554938
1-(2-methoxyethyl)-4-methyl-N-(4-methylcyclohexyl)imidazol-2-amine
CID 106560145
N-cyclohexyl-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine
CID 106565120
N-cyclopropyl-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106554952

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methyl-1-[2-(3-methylbutoxy)ethyl]imidazol-2-amine?
The IUPAC name of N-cyclohexyl-4-methyl-1-[2-(3-methylbutoxy)ethyl]imidazol-2-amine (CID 106568267) is N-cyclohexyl-4-methyl-1-[2-(3-methylbutoxy)ethyl]imidazol-2-amine.
What is the SMILES notation for N-cyclohexyl-4-methyl-1-[2-(3-methylbutoxy)ethyl]imidazol-2-amine?
The canonical SMILES for N-cyclohexyl-4-methyl-1-[2-(3-methylbutoxy)ethyl]imidazol-2-amine is Cc1cn(CCOCCC(C)C)c(NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-4-methyl-1-[2-(3-methylbutoxy)ethyl]imidazol-2-amine?
The InChIKey is HTDKFVLMFNFKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-14(2)9-11-21-12-10-20-13-15(3)18-17(20)19-16-7-5-4-6-8-16/h13-14,16H,4-12H2,1-3H3,(H,18,19).
What are the key properties of N-cyclohexyl-4-methyl-1-[2-(3-methylbutoxy)ethyl]imidazol-2-amine?
N-cyclohexyl-4-methyl-1-[2-(3-methylbutoxy)ethyl]imidazol-2-amine has a molecular weight of 293.45 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methyl-1-[2-(3-methylbutoxy)ethyl]imidazol-2-amine is sourced from PubChem (CID 106568267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).