3,3-dimethyl-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine

C17H36N2O — CID 102745787

IUPAC3,3-dimethyl-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine
SMILESCCCNC(C)C(C)(C)CN1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C17H36N2O/c1-9-10-18-14(2)15(3,4)11-19-12-16(5,6)20-17(7,8)13-19/h14,18H,9-13H2,1-8H3
InChIKeyDFPXBANOLGIIRR-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.29
Rot. Bonds6

About 3,3-dimethyl-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine

3,3-dimethyl-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine (PubChem CID 102745787) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 3,3-dimethyl-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine
PubChem CID102745787
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name3,3-dimethyl-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine
SMILESCCCNC(C)C(C)(C)CN1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C17H36N2O/c1-9-10-18-14(2)15(3,4)11-19-12-16(5,6)20-17(7,8)13-19/h14,18H,9-13H2,1-8H3
InChIKeyDFPXBANOLGIIRR-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-4-morpholin-4-yl-N-propylbutan-2-amine
CID 66453174
4-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 66454747
4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 107395195
3,3-dimethyl-N-propyl-4-(4-propylpiperidin-1-yl)butan-2-amine
CID 66453199
2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanamide
CID 102745496
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 79945323
2-cyclopropyl-2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanenitrile
CID 102745431
N-propyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-3-amine
CID 102743435
2,2-dimethyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol
CID 102745863
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 66455122
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 66453247
3,3-dimethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol
CID 102745364

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine?
The IUPAC name of 3,3-dimethyl-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine (CID 102745787) is 3,3-dimethyl-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine is CCCNC(C)C(C)(C)CN1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine?
The InChIKey is DFPXBANOLGIIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-9-10-18-14(2)15(3,4)11-19-12-16(5,6)20-17(7,8)13-19/h14,18H,9-13H2,1-8H3.
What are the key properties of 3,3-dimethyl-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine?
3,3-dimethyl-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine has a molecular weight of 284.49 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 3,3-dimethyl-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine is sourced from PubChem (CID 102745787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).