N-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine

C18H33N3 — CID 114533031

IUPACN-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CC)CC1CCc1nccn1C
InChIInChI=1S/C18H33N3/c1-4-10-19-14-17-7-6-15(5-2)13-16(17)8-9-18-20-11-12-21(18)3/h11-12,15-17,19H,4-10,13-14H2,1-3H3
InChIKeyXUJUTFMNBDFNTK-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.79
Rot. Bonds8

About N-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine

N-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine (PubChem CID 114533031) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
PubChem CID114533031
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CC)CC1CCc1nccn1C
InChIInChI=1S/C18H33N3/c1-4-10-19-14-17-7-6-15(5-2)13-16(17)8-9-18-20-11-12-21(18)3/h11-12,15-17,19H,4-10,13-14H2,1-3H3
InChIKeyXUJUTFMNBDFNTK-UHFFFAOYSA-N
XLogP3.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine with MolForge

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Related Compounds

3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 64501340
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propylaminomethyl)cyclobutan-1-amine
CID 80998324
2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine
CID 114528631
N-[[2-[(1-methylimidazol-2-yl)methyl]-4-propylcyclohexyl]methyl]propan-2-amine
CID 81025279
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214727
N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-2-yl]methyl]propan-1-amine
CID 114528223
3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 64503736
N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-4-propylcyclohexyl]methyl]ethanamine
CID 103020129
4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol
CID 114531125
4-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61470208
2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62385869

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine (CID 114533031) is N-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine is CCCNCC1CCC(CC)CC1CCc1nccn1C.
What is the InChIKey of N-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine?
The InChIKey is XUJUTFMNBDFNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-4-10-19-14-17-7-6-15(5-2)13-16(17)8-9-18-20-11-12-21(18)3/h11-12,15-17,19H,4-10,13-14H2,1-3H3.
What are the key properties of N-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine?
N-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 114533031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).