1-cyclopropyl-N-(2-methoxyethyl)-N-[[1-(methylaminomethyl)cyclohexyl]methyl]ethanamine

C17H34N2O — CID 62260320

IUPAC1-cyclopropyl-N-(2-methoxyethyl)-N-[[1-(methylaminomethyl)cyclohexyl]methyl]ethanamine
SMILESCNCC1(CN(CCOC)C(C)C2CC2)CCCCC1
InChIInChI=1S/C17H34N2O/c1-15(16-7-8-16)19(11-12-20-3)14-17(13-18-2)9-5-4-6-10-17/h15-16,18H,4-14H2,1-3H3
InChIKeyBINISCLXYRZFEK-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds9

About 1-cyclopropyl-N-(2-methoxyethyl)-N-[[1-(methylaminomethyl)cyclohexyl]methyl]ethanamine

1-cyclopropyl-N-(2-methoxyethyl)-N-[[1-(methylaminomethyl)cyclohexyl]methyl]ethanamine (PubChem CID 62260320) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-methoxyethyl)-N-[[1-(methylaminomethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-methoxyethyl)-N-[[1-(methylaminomethyl)cyclohexyl]methyl]ethanamine
PubChem CID62260320
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-cyclopropyl-N-(2-methoxyethyl)-N-[[1-(methylaminomethyl)cyclohexyl]methyl]ethanamine
SMILESCNCC1(CN(CCOC)C(C)C2CC2)CCCCC1
InChIInChI=1S/C17H34N2O/c1-15(16-7-8-16)19(11-12-20-3)14-17(13-18-2)9-5-4-6-10-17/h15-16,18H,4-14H2,1-3H3
InChIKeyBINISCLXYRZFEK-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2-methoxyethyl)-N-[[1-(methylaminomethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-(2-methoxyethyl)-N-[[1-(methylaminomethyl)cyclohexyl]methyl]ethanamine (CID 62260320) is 1-cyclopropyl-N-(2-methoxyethyl)-N-[[1-(methylaminomethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-(2-methoxyethyl)-N-[[1-(methylaminomethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-(2-methoxyethyl)-N-[[1-(methylaminomethyl)cyclohexyl]methyl]ethanamine is CNCC1(CN(CCOC)C(C)C2CC2)CCCCC1.
What is the InChIKey of 1-cyclopropyl-N-(2-methoxyethyl)-N-[[1-(methylaminomethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is BINISCLXYRZFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-15(16-7-8-16)19(11-12-20-3)14-17(13-18-2)9-5-4-6-10-17/h15-16,18H,4-14H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-(2-methoxyethyl)-N-[[1-(methylaminomethyl)cyclohexyl]methyl]ethanamine?
1-cyclopropyl-N-(2-methoxyethyl)-N-[[1-(methylaminomethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2-methoxyethyl)-N-[[1-(methylaminomethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 62260320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).