N-ethyl-N-methyl-2-(4-methylcyclohexyl)oxyethanamine

C12H25NO — CID 176563841

IUPACN-ethyl-N-methyl-2-(4-methylcyclohexyl)oxyethanamine
SMILESCCN(C)CCOC1CCC(C)CC1
InChIInChI=1S/C12H25NO/c1-4-13(3)9-10-14-12-7-5-11(2)6-8-12/h11-12H,4-10H2,1-3H3
InChIKeyVPFAINAEAQVGGC-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds5

About N-ethyl-N-methyl-2-(4-methylcyclohexyl)oxyethanamine

N-ethyl-N-methyl-2-(4-methylcyclohexyl)oxyethanamine (PubChem CID 176563841) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(4-methylcyclohexyl)oxyethanamine.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(4-methylcyclohexyl)oxyethanamine
PubChem CID176563841
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-ethyl-N-methyl-2-(4-methylcyclohexyl)oxyethanamine
SMILESCCN(C)CCOC1CCC(C)CC1
InChIInChI=1S/C12H25NO/c1-4-13(3)9-10-14-12-7-5-11(2)6-8-12/h11-12H,4-10H2,1-3H3
InChIKeyVPFAINAEAQVGGC-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(4-methylcyclohexyl)oxyethanamine?
The IUPAC name of N-ethyl-N-methyl-2-(4-methylcyclohexyl)oxyethanamine (CID 176563841) is N-ethyl-N-methyl-2-(4-methylcyclohexyl)oxyethanamine.
What is the SMILES notation for N-ethyl-N-methyl-2-(4-methylcyclohexyl)oxyethanamine?
The canonical SMILES for N-ethyl-N-methyl-2-(4-methylcyclohexyl)oxyethanamine is CCN(C)CCOC1CCC(C)CC1.
What is the InChIKey of N-ethyl-N-methyl-2-(4-methylcyclohexyl)oxyethanamine?
The InChIKey is VPFAINAEAQVGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-13(3)9-10-14-12-7-5-11(2)6-8-12/h11-12H,4-10H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-(4-methylcyclohexyl)oxyethanamine?
N-ethyl-N-methyl-2-(4-methylcyclohexyl)oxyethanamine has a molecular weight of 199.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(4-methylcyclohexyl)oxyethanamine is sourced from PubChem (CID 176563841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).