N-[[1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-2-amine

C17H34N2O — CID 62258958

IUPACN-[[1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN2CCOCC2(C)C)CCCCC1
InChIInChI=1S/C17H34N2O/c1-15(2)18-12-17(8-6-5-7-9-17)13-19-10-11-20-14-16(19,3)4/h15,18H,5-14H2,1-4H3
InChIKeyUNVZPBQIWWCZRK-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.05
Rot. Bonds5

About N-[[1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-2-amine

N-[[1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-2-amine (PubChem CID 62258958) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[[1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-2-amine
PubChem CID62258958
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[[1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN2CCOCC2(C)C)CCCCC1
InChIInChI=1S/C17H34N2O/c1-15(2)18-12-17(8-6-5-7-9-17)13-19-10-11-20-14-16(19,3)4/h15,18H,5-14H2,1-4H3
InChIKeyUNVZPBQIWWCZRK-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-2-amine (CID 62258958) is N-[[1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-2-amine is CC(C)NCC1(CN2CCOCC2(C)C)CCCCC1.
What is the InChIKey of N-[[1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-2-amine?
The InChIKey is UNVZPBQIWWCZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-15(2)18-12-17(8-6-5-7-9-17)13-19-10-11-20-14-16(19,3)4/h15,18H,5-14H2,1-4H3.
What are the key properties of N-[[1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-2-amine?
N-[[1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-2-amine has a molecular weight of 282.47 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,3-dimethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 62258958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).