N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine

C15H31NO2 — CID 62110767

IUPACN-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
SMILESCCOCCOC1(CNC(C)C)CCCC(C)C1
InChIInChI=1S/C15H31NO2/c1-5-17-9-10-18-15(12-16-13(2)3)8-6-7-14(4)11-15/h13-14,16H,5-12H2,1-4H3
InChIKeyXOHVPGKPGCJEDB-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.99
Rot. Bonds8

About N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine

N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine (PubChem CID 62110767) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
PubChem CID62110767
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
SMILESCCOCCOC1(CNC(C)C)CCCC(C)C1
InChIInChI=1S/C15H31NO2/c1-5-17-9-10-18-15(12-16-13(2)3)8-6-7-14(4)11-15/h13-14,16H,5-12H2,1-4H3
InChIKeyXOHVPGKPGCJEDB-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine
CID 62109080
N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 55036396
N-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine
CID 115942700
N-[[1-(2-cyclobutylethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
CID 106205092
N-[[1-[2-(2-methoxyethoxy)ethoxy]-3-methylcyclohexyl]methyl]ethanamine
CID 104565665
N-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine
CID 62383858
N-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine
CID 103180376
N-[[4-methyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-2-amine
CID 106449180
N-[[1-(2-propoxyethoxy)cyclohexyl]methyl]propan-2-amine
CID 63686546
N-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine
CID 62106730
N-[(3-methyl-1-propan-2-yloxycyclohexyl)methyl]ethanamine
CID 62110098
N-[[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-2-amine
CID 63934062

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine (CID 62110767) is N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine is CCOCCOC1(CNC(C)C)CCCC(C)C1.
What is the InChIKey of N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine?
The InChIKey is XOHVPGKPGCJEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-17-9-10-18-15(12-16-13(2)3)8-6-7-14(4)11-15/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine?
N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine has a molecular weight of 257.42 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 62110767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).