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

C17H31N3O — CID 106568244

IUPAC1-cyclohexyl-4-methyl-N-[2-(3-methylbutoxy)ethyl]imidazol-2-amine
SMILESCc1cn(C2CCCCC2)c(NCCOCCC(C)C)n1
InChIInChI=1S/C17H31N3O/c1-14(2)9-11-21-12-10-18-17-19-15(3)13-20(17)16-7-5-4-6-8-16/h13-14,16H,4-12H2,1-3H3,(H,18,19)
InChIKeyXOYMQAOZLUXKFO-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.17
Rot. Bonds8

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

1-cyclohexyl-4-methyl-N-[2-(3-methylbutoxy)ethyl]imidazol-2-amine (PubChem CID 106568244) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 1-cyclohexyl-4-methyl-N-[2-(3-methylbutoxy)ethyl]imidazol-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-4-methyl-N-[2-(3-methylbutoxy)ethyl]imidazol-2-amine
PubChem CID106568244
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name1-cyclohexyl-4-methyl-N-[2-(3-methylbutoxy)ethyl]imidazol-2-amine
SMILESCc1cn(C2CCCCC2)c(NCCOCCC(C)C)n1
InChIInChI=1S/C17H31N3O/c1-14(2)9-11-21-12-10-18-17-19-15(3)13-20(17)16-7-5-4-6-8-16/h13-14,16H,4-12H2,1-3H3,(H,18,19)
InChIKeyXOYMQAOZLUXKFO-UHFFFAOYSA-N
XLogP4.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 54.17
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

1-cyclohexyl-4-methyl-N-(3-methylbutyl)imidazol-2-amine
CID 106557289
N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106568338
1-cyclopropyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
CID 106582379
1-cyclooctyl-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106557175
1-cyclooctyl-4-methyl-N-propylimidazol-2-amine
CID 106557157
1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106554998
N-(2-cyclohexylethyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106563352
1-cyclohexyl-4-methyl-N-(2-methylsulfonylethyl)imidazol-2-amine
CID 106563445
1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571408
1-cyclohexyl-N-ethyl-4-methylimidazol-2-amine
CID 106554643
N-(1-cyclopentyl-4-methylimidazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 106565750
1-cyclopentyl-N-(cyclopropylmethyl)-4-methylimidazol-2-amine
CID 106555211

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methyl-N-[2-(3-methylbutoxy)ethyl]imidazol-2-amine?
The IUPAC name of 1-cyclohexyl-4-methyl-N-[2-(3-methylbutoxy)ethyl]imidazol-2-amine (CID 106568244) is 1-cyclohexyl-4-methyl-N-[2-(3-methylbutoxy)ethyl]imidazol-2-amine.
What is the SMILES notation for 1-cyclohexyl-4-methyl-N-[2-(3-methylbutoxy)ethyl]imidazol-2-amine?
The canonical SMILES for 1-cyclohexyl-4-methyl-N-[2-(3-methylbutoxy)ethyl]imidazol-2-amine is Cc1cn(C2CCCCC2)c(NCCOCCC(C)C)n1.
What is the InChIKey of 1-cyclohexyl-4-methyl-N-[2-(3-methylbutoxy)ethyl]imidazol-2-amine?
The InChIKey is XOYMQAOZLUXKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-14(2)9-11-21-12-10-18-17-19-15(3)13-20(17)16-7-5-4-6-8-16/h13-14,16H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 1-cyclohexyl-4-methyl-N-[2-(3-methylbutoxy)ethyl]imidazol-2-amine?
1-cyclohexyl-4-methyl-N-[2-(3-methylbutoxy)ethyl]imidazol-2-amine has a molecular weight of 293.46 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methyl-N-[2-(3-methylbutoxy)ethyl]imidazol-2-amine is sourced from PubChem (CID 106568244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).