2-methoxy-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]ethanamine

C17H31N3O — CID 103968579

IUPAC2-methoxy-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cncn1C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H31N3O/c1-16(2)8-14(9-17(3,4)12-16)20-13-19-11-15(20)10-18-6-7-21-5/h11,13-14,18H,6-10,12H2,1-5H3
InChIKeyDFKRHNVBVCZNOC-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.40
Rot. Bonds6

About 2-methoxy-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]ethanamine

2-methoxy-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 103968579) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]ethanamine
PubChem CID103968579
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name2-methoxy-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cncn1C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H31N3O/c1-16(2)8-14(9-17(3,4)12-16)20-13-19-11-15(20)10-18-6-7-21-5/h11,13-14,18H,6-10,12H2,1-5H3
InChIKeyDFKRHNVBVCZNOC-UHFFFAOYSA-N
XLogP3.40
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.40
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

2-methyl-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine
CID 103968580
2-methoxy-N-[[3-(oxolan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 80714864
2-methoxy-N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 66152017
2-methoxy-N-[[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66152200
2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 113405061
N-[[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 66150519
[3-(3,3-dimethylcyclobutyl)imidazol-4-yl]methanamine
CID 130909334
1-[3-(3,3-dimethylcyclopentyl)imidazol-4-yl]-N-methylmethanamine
CID 114541577
N-[(3-butan-2-ylimidazol-4-yl)methyl]-2-methoxyethanamine
CID 66148790
2-methoxy-N-[[3-(4-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66148185
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66140601
1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine
CID 66151421

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]ethanamine (CID 103968579) is 2-methoxy-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]ethanamine is COCCNCc1cncn1C1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 2-methoxy-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is DFKRHNVBVCZNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-16(2)8-14(9-17(3,4)12-16)20-13-19-11-15(20)10-18-6-7-21-5/h11,13-14,18H,6-10,12H2,1-5H3.
What are the key properties of 2-methoxy-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 293.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 103968579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).