4-ethyl-N-methyl-2-(1,4-oxazepan-4-yl)cyclohexan-1-amine

C14H28N2O — CID 62986422

IUPAC4-ethyl-N-methyl-2-(1,4-oxazepan-4-yl)cyclohexan-1-amine
SMILESCCC1CCC(NC)C(N2CCCOCC2)C1
InChIInChI=1S/C14H28N2O/c1-3-12-5-6-13(15-2)14(11-12)16-7-4-9-17-10-8-16/h12-15H,3-11H2,1-2H3
InChIKeyARTWRLLWTLAMGP-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds3

About 4-ethyl-N-methyl-2-(1,4-oxazepan-4-yl)cyclohexan-1-amine

4-ethyl-N-methyl-2-(1,4-oxazepan-4-yl)cyclohexan-1-amine (PubChem CID 62986422) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-ethyl-N-methyl-2-(1,4-oxazepan-4-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-2-(1,4-oxazepan-4-yl)cyclohexan-1-amine
PubChem CID62986422
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-ethyl-N-methyl-2-(1,4-oxazepan-4-yl)cyclohexan-1-amine
SMILESCCC1CCC(NC)C(N2CCCOCC2)C1
InChIInChI=1S/C14H28N2O/c1-3-12-5-6-13(15-2)14(11-12)16-7-4-9-17-10-8-16/h12-15H,3-11H2,1-2H3
InChIKeyARTWRLLWTLAMGP-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(1,4-oxazepan-4-yl)-4-propylcyclohexan-1-amine
CID 55152195
N-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine
CID 62988145
4-ethyl-N-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine
CID 63169906
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-N-methylcyclohexan-1-amine
CID 113335646
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-ethyl-N-methylcyclohexan-1-amine
CID 104958321
2-(azocan-1-yl)-N,4-diethylcyclohexan-1-amine
CID 63465174
4-methyl-2-(1,4-oxazepan-4-yl)-N-propylcyclohexan-1-amine
CID 62987813
4-ethyl-N-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-amine
CID 79920835
4-tert-butyl-2-(4-ethylpiperidin-1-yl)-N-methylcyclohexan-1-amine
CID 63468858
4-(5-ethyloxan-2-yl)morpholine
CID 174647288
2-(4-ethylpiperidin-1-yl)-N-methyl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63470296
N,2,2-trimethyl-5-(1,4-oxazepan-4-yl)cyclopentan-1-amine
CID 79860805

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-2-(1,4-oxazepan-4-yl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-methyl-2-(1,4-oxazepan-4-yl)cyclohexan-1-amine (CID 62986422) is 4-ethyl-N-methyl-2-(1,4-oxazepan-4-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-methyl-2-(1,4-oxazepan-4-yl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-methyl-2-(1,4-oxazepan-4-yl)cyclohexan-1-amine is CCC1CCC(NC)C(N2CCCOCC2)C1.
What is the InChIKey of 4-ethyl-N-methyl-2-(1,4-oxazepan-4-yl)cyclohexan-1-amine?
The InChIKey is ARTWRLLWTLAMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-12-5-6-13(15-2)14(11-12)16-7-4-9-17-10-8-16/h12-15H,3-11H2,1-2H3.
What are the key properties of 4-ethyl-N-methyl-2-(1,4-oxazepan-4-yl)cyclohexan-1-amine?
4-ethyl-N-methyl-2-(1,4-oxazepan-4-yl)cyclohexan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-2-(1,4-oxazepan-4-yl)cyclohexan-1-amine is sourced from PubChem (CID 62986422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).