[1-(3-ethylmorpholin-4-yl)-2,4,4-trimethylcyclohexyl]methanamine

C16H32N2O — CID 81321303

IUPAC[1-(3-ethylmorpholin-4-yl)-2,4,4-trimethylcyclohexyl]methanamine
SMILESCCC1COCCN1C1(CN)CCC(C)(C)CC1C
InChIInChI=1S/C16H32N2O/c1-5-14-11-19-9-8-18(14)16(12-17)7-6-15(3,4)10-13(16)2/h13-14H,5-12,17H2,1-4H3
InChIKeyXQAULBLSRCHIAZ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.64
Rot. Bonds3

About [1-(3-ethylmorpholin-4-yl)-2,4,4-trimethylcyclohexyl]methanamine

[1-(3-ethylmorpholin-4-yl)-2,4,4-trimethylcyclohexyl]methanamine (PubChem CID 81321303) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [1-(3-ethylmorpholin-4-yl)-2,4,4-trimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-ethylmorpholin-4-yl)-2,4,4-trimethylcyclohexyl]methanamine
PubChem CID81321303
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[1-(3-ethylmorpholin-4-yl)-2,4,4-trimethylcyclohexyl]methanamine
SMILESCCC1COCCN1C1(CN)CCC(C)(C)CC1C
InChIInChI=1S/C16H32N2O/c1-5-14-11-19-9-8-18(14)16(12-17)7-6-15(3,4)10-13(16)2/h13-14H,5-12,17H2,1-4H3
InChIKeyXQAULBLSRCHIAZ-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3-ethylmorpholin-4-yl)-2,4,4-trimethylcyclohexyl]methanamine with MolForge

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Related Compounds

[2,4,4-trimethyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 81320897
[1-(3-ethylmorpholin-4-yl)cycloheptyl]methanamine
CID 43613015
[3-(3-ethylmorpholin-4-yl)-5,5-dimethylthian-3-yl]methanamine
CID 79958027
[1-(3,3-dimethylpyrrolidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine
CID 81321625
[1-ethyl-4-(3-ethylmorpholin-4-yl)piperidin-4-yl]methanamine
CID 43613025
[3-(3-ethylmorpholin-4-yl)-5-methylthiolan-3-yl]methanamine
CID 79950103
[1-(3-ethylmorpholin-4-yl)-3-methoxycyclohexyl]methanamine
CID 106872222
[1-(3-ethylpiperidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine
CID 81320901
[2,4,4-trimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine
CID 81320979
[2,4,4-trimethyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
CID 81320512
[1-(4-butan-2-ylpiperazin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine
CID 81303249
[2-(3-ethylmorpholin-4-yl)-1,3-dihydroinden-2-yl]methanamine
CID 43809109

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethylmorpholin-4-yl)-2,4,4-trimethylcyclohexyl]methanamine?
The IUPAC name of [1-(3-ethylmorpholin-4-yl)-2,4,4-trimethylcyclohexyl]methanamine (CID 81321303) is [1-(3-ethylmorpholin-4-yl)-2,4,4-trimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(3-ethylmorpholin-4-yl)-2,4,4-trimethylcyclohexyl]methanamine?
The canonical SMILES for [1-(3-ethylmorpholin-4-yl)-2,4,4-trimethylcyclohexyl]methanamine is CCC1COCCN1C1(CN)CCC(C)(C)CC1C.
What is the InChIKey of [1-(3-ethylmorpholin-4-yl)-2,4,4-trimethylcyclohexyl]methanamine?
The InChIKey is XQAULBLSRCHIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-14-11-19-9-8-18(14)16(12-17)7-6-15(3,4)10-13(16)2/h13-14H,5-12,17H2,1-4H3.
What are the key properties of [1-(3-ethylmorpholin-4-yl)-2,4,4-trimethylcyclohexyl]methanamine?
[1-(3-ethylmorpholin-4-yl)-2,4,4-trimethylcyclohexyl]methanamine has a molecular weight of 268.44 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethylmorpholin-4-yl)-2,4,4-trimethylcyclohexyl]methanamine is sourced from PubChem (CID 81321303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).