N-(1-cyclohexylethyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine

C17H31N3O — CID 106571255

IUPACN-(1-cyclohexylethyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCn1cc(C)nc1NC(C)C1CCCCC1
InChIInChI=1S/C17H31N3O/c1-4-21-12-8-11-20-13-14(2)18-17(20)19-15(3)16-9-6-5-7-10-16/h13,15-16H,4-12H2,1-3H3,(H,18,19)
InChIKeyXVXYLXXPKGNRTK-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.00
Rot. Bonds8

About N-(1-cyclohexylethyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine

N-(1-cyclohexylethyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106571255) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
PubChem CID106571255
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-(1-cyclohexylethyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCn1cc(C)nc1NC(C)C1CCCCC1
InChIInChI=1S/C17H31N3O/c1-4-21-12-8-11-20-13-14(2)18-17(20)19-15(3)16-9-6-5-7-10-16/h13,15-16H,4-12H2,1-3H3,(H,18,19)
InChIKeyXVXYLXXPKGNRTK-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

1-(3-ethoxypropyl)-4-methyl-N-(1-methylsulfinylpropan-2-yl)imidazol-2-amine
CID 106580467
4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine
CID 106578561
1-(3-ethoxypropyl)-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565251
N-(2-ethoxypropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106581223
1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571259
1-(3-ethoxypropyl)-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine
CID 106573460
1-(2-cyclopentyloxyethyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106573164
1-(3-cyclopropylpropyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106582520
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106583088
N-(2-ethoxy-2-methylpropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106583247
1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106561789
N-cyclohexyl-4-methyl-1-(5-methylhexyl)imidazol-2-amine
CID 106578468

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of N-(1-cyclohexylethyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine (CID 106571255) is N-(1-cyclohexylethyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine is CCOCCCn1cc(C)nc1NC(C)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is XVXYLXXPKGNRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-21-12-8-11-20-13-14(2)18-17(20)19-15(3)16-9-6-5-7-10-16/h13,15-16H,4-12H2,1-3H3,(H,18,19).
What are the key properties of N-(1-cyclohexylethyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine?
N-(1-cyclohexylethyl)-1-(3-ethoxypropyl)-4-methylimidazol-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-(1-cyclohexylethyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106571255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).