[4-(2-methylbutan-2-yl)-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine

C17H34N2O — CID 43541959

IUPAC[4-(2-methylbutan-2-yl)-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)(N2CCOCC2C)CC1
InChIInChI=1S/C17H34N2O/c1-5-16(3,4)15-6-8-17(13-18,9-7-15)19-10-11-20-12-14(19)2/h14-15H,5-13,18H2,1-4H3
InChIKeyFGWBNEZVDVGFNX-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.03
Rot. Bonds4

About [4-(2-methylbutan-2-yl)-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine

[4-(2-methylbutan-2-yl)-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine (PubChem CID 43541959) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine
PubChem CID43541959
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name[4-(2-methylbutan-2-yl)-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)(N2CCOCC2C)CC1
InChIInChI=1S/C17H34N2O/c1-5-16(3,4)15-6-8-17(13-18,9-7-15)19-10-11-20-12-14(19)2/h14-15H,5-13,18H2,1-4H3
InChIKeyFGWBNEZVDVGFNX-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutan-2-yl)-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine?
The IUPAC name of [4-(2-methylbutan-2-yl)-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine (CID 43541959) is [4-(2-methylbutan-2-yl)-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(2-methylbutan-2-yl)-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-(2-methylbutan-2-yl)-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine is CCC(C)(C)C1CCC(CN)(N2CCOCC2C)CC1.
What is the InChIKey of [4-(2-methylbutan-2-yl)-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine?
The InChIKey is FGWBNEZVDVGFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-16(3,4)15-6-8-17(13-18,9-7-15)19-10-11-20-12-14(19)2/h14-15H,5-13,18H2,1-4H3.
What are the key properties of [4-(2-methylbutan-2-yl)-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine?
[4-(2-methylbutan-2-yl)-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine has a molecular weight of 282.47 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutan-2-yl)-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine is sourced from PubChem (CID 43541959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).