3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine

C17H34N2O — CID 64735235

IUPAC3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1CN1CCOCC1C
InChIInChI=1S/C17H34N2O/c1-5-6-18-17-10-13(2)9-14(3)16(17)11-19-7-8-20-12-15(19)4/h13-18H,5-12H2,1-4H3
InChIKeyCJKYGAQCCYNDTA-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.76
Rot. Bonds5

About 3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine

3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine (PubChem CID 64735235) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine
PubChem CID64735235
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1CN1CCOCC1C
InChIInChI=1S/C17H34N2O/c1-5-6-18-17-10-13(2)9-14(3)16(17)11-19-7-8-20-12-15(19)4/h13-18H,5-12H2,1-4H3
InChIKeyCJKYGAQCCYNDTA-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine (CID 64735235) is 3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine is CCCNC1CC(C)CC(C)C1CN1CCOCC1C.
What is the InChIKey of 3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine?
The InChIKey is CJKYGAQCCYNDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-6-18-17-10-13(2)9-14(3)16(17)11-19-7-8-20-12-15(19)4/h13-18H,5-12H2,1-4H3.
What are the key properties of 3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine?
3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64735235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).