3,3-dimethyl-4-morpholin-4-yl-N-propylbutan-2-amine

C13H28N2O — CID 66453174

IUPAC3,3-dimethyl-4-morpholin-4-yl-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)(C)CN1CCOCC1
InChIInChI=1S/C13H28N2O/c1-5-6-14-12(2)13(3,4)11-15-7-9-16-10-8-15/h12,14H,5-11H2,1-4H3
InChIKeyKPLKPPKXGJZYKI-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds6

About 3,3-dimethyl-4-morpholin-4-yl-N-propylbutan-2-amine

3,3-dimethyl-4-morpholin-4-yl-N-propylbutan-2-amine (PubChem CID 66453174) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3,3-dimethyl-4-morpholin-4-yl-N-propylbutan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-4-morpholin-4-yl-N-propylbutan-2-amine
PubChem CID66453174
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3,3-dimethyl-4-morpholin-4-yl-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)(C)CN1CCOCC1
InChIInChI=1S/C13H28N2O/c1-5-6-14-12(2)13(3,4)11-15-7-9-16-10-8-15/h12,14H,5-11H2,1-4H3
InChIKeyKPLKPPKXGJZYKI-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-propyl-4-(4-propylpiperidin-1-yl)butan-2-amine
CID 66453199
4-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 66454747
3,3-dimethyl-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine
CID 102745787
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
4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 107395195
N-ethyl-3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-amine
CID 66453823
1-(1,4-oxazepan-4-yl)-N-propylpropan-2-amine
CID 62988157
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
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 66454058
3,3-dimethyl-4-(3-methylsulfonylthiomorpholin-4-yl)-N-propylbutan-2-amine
CID 66454113
4-methyl-4-morpholin-4-yl-N-propylhexan-3-amine
CID 79065046

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-morpholin-4-yl-N-propylbutan-2-amine?
The IUPAC name of 3,3-dimethyl-4-morpholin-4-yl-N-propylbutan-2-amine (CID 66453174) is 3,3-dimethyl-4-morpholin-4-yl-N-propylbutan-2-amine.
What is the SMILES notation for 3,3-dimethyl-4-morpholin-4-yl-N-propylbutan-2-amine?
The canonical SMILES for 3,3-dimethyl-4-morpholin-4-yl-N-propylbutan-2-amine is CCCNC(C)C(C)(C)CN1CCOCC1.
What is the InChIKey of 3,3-dimethyl-4-morpholin-4-yl-N-propylbutan-2-amine?
The InChIKey is KPLKPPKXGJZYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-6-14-12(2)13(3,4)11-15-7-9-16-10-8-15/h12,14H,5-11H2,1-4H3.
What are the key properties of 3,3-dimethyl-4-morpholin-4-yl-N-propylbutan-2-amine?
3,3-dimethyl-4-morpholin-4-yl-N-propylbutan-2-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-morpholin-4-yl-N-propylbutan-2-amine is sourced from PubChem (CID 66453174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).