1-[2-ethoxy-1-(methylamino)ethyl]-N,N,4-trimethylcyclohexan-1-amine

C14H30N2O — CID 79570647

IUPAC1-[2-ethoxy-1-(methylamino)ethyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCCOCC(NC)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C14H30N2O/c1-6-17-11-13(15-3)14(16(4)5)9-7-12(2)8-10-14/h12-13,15H,6-11H2,1-5H3
InChIKeyDBIPGILASIAONB-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds6

About 1-[2-ethoxy-1-(methylamino)ethyl]-N,N,4-trimethylcyclohexan-1-amine

1-[2-ethoxy-1-(methylamino)ethyl]-N,N,4-trimethylcyclohexan-1-amine (PubChem CID 79570647) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-[2-ethoxy-1-(methylamino)ethyl]-N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-ethoxy-1-(methylamino)ethyl]-N,N,4-trimethylcyclohexan-1-amine
PubChem CID79570647
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-[2-ethoxy-1-(methylamino)ethyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCCOCC(NC)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C14H30N2O/c1-6-17-11-13(15-3)14(16(4)5)9-7-12(2)8-10-14/h12-13,15H,6-11H2,1-5H3
InChIKeyDBIPGILASIAONB-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-ethoxy-1-(methylamino)ethyl]-N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[2-ethoxy-1-(methylamino)ethyl]-N,N,4-trimethylcyclohexan-1-amine (CID 79570647) is 1-[2-ethoxy-1-(methylamino)ethyl]-N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[2-ethoxy-1-(methylamino)ethyl]-N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[2-ethoxy-1-(methylamino)ethyl]-N,N,4-trimethylcyclohexan-1-amine is CCOCC(NC)C1(N(C)C)CCC(C)CC1.
What is the InChIKey of 1-[2-ethoxy-1-(methylamino)ethyl]-N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is DBIPGILASIAONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-6-17-11-13(15-3)14(16(4)5)9-7-12(2)8-10-14/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 1-[2-ethoxy-1-(methylamino)ethyl]-N,N,4-trimethylcyclohexan-1-amine?
1-[2-ethoxy-1-(methylamino)ethyl]-N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethoxy-1-(methylamino)ethyl]-N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79570647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).