2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-yl-N-propylpropan-1-amine

C18H36N2O — CID 79051479

IUPAC2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-yl-N-propylpropan-1-amine
SMILESCCCNC(C1CCC(C)CC1)C(C)(C)N1CCOCC1
InChIInChI=1S/C18H36N2O/c1-5-10-19-17(16-8-6-15(2)7-9-16)18(3,4)20-11-13-21-14-12-20/h15-17,19H,5-14H2,1-4H3
InChIKeyFLADMGFTMCNEKP-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.29
Rot. Bonds6

About 2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-yl-N-propylpropan-1-amine

2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-yl-N-propylpropan-1-amine (PubChem CID 79051479) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-yl-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-yl-N-propylpropan-1-amine
PubChem CID79051479
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-yl-N-propylpropan-1-amine
SMILESCCCNC(C1CCC(C)CC1)C(C)(C)N1CCOCC1
InChIInChI=1S/C18H36N2O/c1-5-10-19-17(16-8-6-15(2)7-9-16)18(3,4)20-11-13-21-14-12-20/h15-17,19H,5-14H2,1-4H3
InChIKeyFLADMGFTMCNEKP-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-yl-N-propylpropan-1-amine?
The IUPAC name of 2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-yl-N-propylpropan-1-amine (CID 79051479) is 2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-yl-N-propylpropan-1-amine.
What is the SMILES notation for 2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-yl-N-propylpropan-1-amine?
The canonical SMILES for 2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-yl-N-propylpropan-1-amine is CCCNC(C1CCC(C)CC1)C(C)(C)N1CCOCC1.
What is the InChIKey of 2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-yl-N-propylpropan-1-amine?
The InChIKey is FLADMGFTMCNEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-5-10-19-17(16-8-6-15(2)7-9-16)18(3,4)20-11-13-21-14-12-20/h15-17,19H,5-14H2,1-4H3.
What are the key properties of 2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-yl-N-propylpropan-1-amine?
2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-yl-N-propylpropan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-yl-N-propylpropan-1-amine is sourced from PubChem (CID 79051479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).