1-(aminomethyl)-N-ethyl-3-methoxy-N-methylcyclohexan-1-amine

C11H24N2O — CID 106872162

IUPAC1-(aminomethyl)-N-ethyl-3-methoxy-N-methylcyclohexan-1-amine
SMILESCCN(C)C1(CN)CCCC(OC)C1
InChIInChI=1S/C11H24N2O/c1-4-13(2)11(9-12)7-5-6-10(8-11)14-3/h10H,4-9,12H2,1-3H3
InChIKeyYASNBKVAJPBWGG-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.22
Rot. Bonds4

About 1-(aminomethyl)-N-ethyl-3-methoxy-N-methylcyclohexan-1-amine

1-(aminomethyl)-N-ethyl-3-methoxy-N-methylcyclohexan-1-amine (PubChem CID 106872162) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-3-methoxy-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-3-methoxy-N-methylcyclohexan-1-amine
PubChem CID106872162
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-(aminomethyl)-N-ethyl-3-methoxy-N-methylcyclohexan-1-amine
SMILESCCN(C)C1(CN)CCCC(OC)C1
InChIInChI=1S/C11H24N2O/c1-4-13(2)11(9-12)7-5-6-10(8-11)14-3/h10H,4-9,12H2,1-3H3
InChIKeyYASNBKVAJPBWGG-UHFFFAOYSA-N
XLogP1.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-3-methoxy-N-methylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-3-methoxy-N-methylcyclohexan-1-amine (CID 106872162) is 1-(aminomethyl)-N-ethyl-3-methoxy-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-3-methoxy-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-3-methoxy-N-methylcyclohexan-1-amine is CCN(C)C1(CN)CCCC(OC)C1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-3-methoxy-N-methylcyclohexan-1-amine?
The InChIKey is YASNBKVAJPBWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-13(2)11(9-12)7-5-6-10(8-11)14-3/h10H,4-9,12H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-3-methoxy-N-methylcyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-3-methoxy-N-methylcyclohexan-1-amine has a molecular weight of 200.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-3-methoxy-N-methylcyclohexan-1-amine is sourced from PubChem (CID 106872162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).