[1-(2,6-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexyl]methanamine

C18H36N2O — CID 43080101

IUPAC[1-(2,6-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)(N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C18H36N2O/c1-6-17(4,5)16-7-9-18(13-19,10-8-16)20-11-14(2)21-15(3)12-20/h14-16H,6-13,19H2,1-5H3
InChIKeyMJXQYJNLEZAMQM-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.42
Rot. Bonds4

About [1-(2,6-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexyl]methanamine

[1-(2,6-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexyl]methanamine (PubChem CID 43080101) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is [1-(2,6-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2,6-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
PubChem CID43080101
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name[1-(2,6-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)(N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C18H36N2O/c1-6-17(4,5)16-7-9-18(13-19,10-8-16)20-11-14(2)21-15(3)12-20/h14-16H,6-13,19H2,1-5H3
InChIKeyMJXQYJNLEZAMQM-UHFFFAOYSA-N
XLogP3.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(2,6-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexyl]methanamine (CID 43080101) is [1-(2,6-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2,6-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2,6-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexyl]methanamine is CCC(C)(C)C1CCC(CN)(N2CC(C)OC(C)C2)CC1.
What is the InChIKey of [1-(2,6-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexyl]methanamine?
The InChIKey is MJXQYJNLEZAMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-6-17(4,5)16-7-9-18(13-19,10-8-16)20-11-14(2)21-15(3)12-20/h14-16H,6-13,19H2,1-5H3.
What are the key properties of [1-(2,6-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexyl]methanamine?
[1-(2,6-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexyl]methanamine has a molecular weight of 296.50 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 43080101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).