1-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methoxy-N-methylcyclohexan-1-amine

C17H34N2O — CID 106872326

IUPAC1-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methoxy-N-methylcyclohexan-1-amine
SMILESCCC1CCC(N(C)C2(CN)CCCCC2OC)CC1
InChIInChI=1S/C17H34N2O/c1-4-14-8-10-15(11-9-14)19(2)17(13-18)12-6-5-7-16(17)20-3/h14-16H,4-13,18H2,1-3H3
InChIKeyJDCFEQLDBGSYGH-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.17
Rot. Bonds5

About 1-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methoxy-N-methylcyclohexan-1-amine

1-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methoxy-N-methylcyclohexan-1-amine (PubChem CID 106872326) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methoxy-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methoxy-N-methylcyclohexan-1-amine
PubChem CID106872326
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methoxy-N-methylcyclohexan-1-amine
SMILESCCC1CCC(N(C)C2(CN)CCCCC2OC)CC1
InChIInChI=1S/C17H34N2O/c1-4-14-8-10-15(11-9-14)19(2)17(13-18)12-6-5-7-16(17)20-3/h14-16H,4-13,18H2,1-3H3
InChIKeyJDCFEQLDBGSYGH-UHFFFAOYSA-N
XLogP3.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-cyclobutyl-2-methoxy-N-methylcyclohexan-1-amine
CID 106872758
1-(aminomethyl)-N-ethyl-2-methoxy-N-methylcyclohexan-1-amine
CID 106872163
1-(aminomethyl)-N-butan-2-yl-2-methoxy-N-methylcyclohexan-1-amine
CID 106872183
1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-2-methoxycyclohexan-1-amine
CID 106872304
1-(aminomethyl)-N-cyclohexyl-N,2-dimethylcyclohexan-1-amine
CID 43409641
1-(aminomethyl)-2-methoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
CID 106872505
1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-N-methylcyclohexan-1-amine
CID 106872648
1-(aminomethyl)-2-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine
CID 106872350
1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methoxycyclohexan-1-ol
CID 106874852
1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylcyclohexan-1-amine
CID 63471584
3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 63162872
1-(aminomethyl)-2-methoxy-N-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 106872252

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methoxy-N-methylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methoxy-N-methylcyclohexan-1-amine (CID 106872326) is 1-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methoxy-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methoxy-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methoxy-N-methylcyclohexan-1-amine is CCC1CCC(N(C)C2(CN)CCCCC2OC)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methoxy-N-methylcyclohexan-1-amine?
The InChIKey is JDCFEQLDBGSYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-14-8-10-15(11-9-14)19(2)17(13-18)12-6-5-7-16(17)20-3/h14-16H,4-13,18H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methoxy-N-methylcyclohexan-1-amine?
1-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methoxy-N-methylcyclohexan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methoxy-N-methylcyclohexan-1-amine is sourced from PubChem (CID 106872326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).