5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylcyclohexan-1-amine

C18H36N2O — CID 43081495

IUPAC5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCC(C)(C)N2CCOCC2)C1
InChIInChI=1S/C18H36N2O/c1-14(2)16-7-6-15(3)12-17(16)19-13-18(4,5)20-8-10-21-11-9-20/h14-17,19H,6-13H2,1-5H3
InChIKeyQBYQQHSFRIXGSA-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.15
Rot. Bonds5

About 5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylcyclohexan-1-amine

5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylcyclohexan-1-amine (PubChem CID 43081495) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylcyclohexan-1-amine
PubChem CID43081495
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCC(C)(C)N2CCOCC2)C1
InChIInChI=1S/C18H36N2O/c1-14(2)16-7-6-15(3)12-17(16)19-13-18(4,5)20-8-10-21-11-9-20/h14-17,19H,6-13H2,1-5H3
InChIKeyQBYQQHSFRIXGSA-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylcyclohexan-1-amine (CID 43081495) is 5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(NCC(C)(C)N2CCOCC2)C1.
What is the InChIKey of 5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is QBYQQHSFRIXGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-14(2)16-7-6-15(3)12-17(16)19-13-18(4,5)20-8-10-21-11-9-20/h14-17,19H,6-13H2,1-5H3.
What are the key properties of 5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylcyclohexan-1-amine?
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 43081495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).