1-(aminomethyl)-N-(2-ethoxyethyl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine

C16H34N2O — CID 107429111

IUPAC1-(aminomethyl)-N-(2-ethoxyethyl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCCOCCN(C)C1(CN)CCCC(CC(C)C)C1
InChIInChI=1S/C16H34N2O/c1-5-19-10-9-18(4)16(13-17)8-6-7-15(12-16)11-14(2)3/h14-15H,5-13,17H2,1-4H3
InChIKeyHLZWRWSZNPMNNY-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.89
Rot. Bonds8

About 1-(aminomethyl)-N-(2-ethoxyethyl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine

1-(aminomethyl)-N-(2-ethoxyethyl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107429111) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-ethoxyethyl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-ethoxyethyl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107429111
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-(aminomethyl)-N-(2-ethoxyethyl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCCOCCN(C)C1(CN)CCCC(CC(C)C)C1
InChIInChI=1S/C16H34N2O/c1-5-19-10-9-18(4)16(13-17)8-6-7-15(12-16)11-14(2)3/h14-15H,5-13,17H2,1-4H3
InChIKeyHLZWRWSZNPMNNY-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.89
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

1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 107429103
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428982
1-(aminomethyl)-N-(2-ethoxyethyl)-N,3-dimethylcyclopentan-1-amine
CID 81059702
1-(aminomethyl)-N-ethyl-N,3-bis(2-methylpropyl)cyclohexan-1-amine
CID 107428924
1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(4-methylsulfanylbutan-2-yl)cyclohexan-1-amine
CID 107429152
1-(aminomethyl)-3-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
CID 112658082
1-(aminomethyl)-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine
CID 65176468
1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-methylcyclohexan-1-amine
CID 62007118
1-(aminomethyl)-N-methyl-3-(2-methylpropyl)-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 107428939
1-(aminomethyl)-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 106450883
1-(aminomethyl)-N-(3-ethoxypropyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 65176634
N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 107428952

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-ethoxyethyl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-ethoxyethyl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine (CID 107429111) is 1-(aminomethyl)-N-(2-ethoxyethyl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-ethoxyethyl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-ethoxyethyl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine is CCOCCN(C)C1(CN)CCCC(CC(C)C)C1.
What is the InChIKey of 1-(aminomethyl)-N-(2-ethoxyethyl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is HLZWRWSZNPMNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-19-10-9-18(4)16(13-17)8-6-7-15(12-16)11-14(2)3/h14-15H,5-13,17H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-(2-ethoxyethyl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine?
1-(aminomethyl)-N-(2-ethoxyethyl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-ethoxyethyl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107429111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).