2-methyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propan-2-ylbutan-1-amine

C14H30N2O — CID 55051923

IUPAC2-methyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propan-2-ylbutan-1-amine
SMILESCCC(C)(CNC(C)C)CN1CCOCC1C
InChIInChI=1S/C14H30N2O/c1-6-14(5,10-15-12(2)3)11-16-7-8-17-9-13(16)4/h12-13,15H,6-11H2,1-5H3
InChIKeyXCFWGZZTJXUKOY-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds6

About 2-methyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propan-2-ylbutan-1-amine

2-methyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propan-2-ylbutan-1-amine (PubChem CID 55051923) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-methyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propan-2-ylbutan-1-amine
PubChem CID55051923
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-methyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propan-2-ylbutan-1-amine
SMILESCCC(C)(CNC(C)C)CN1CCOCC1C
InChIInChI=1S/C14H30N2O/c1-6-14(5,10-15-12(2)3)11-16-7-8-17-9-13(16)4/h12-13,15H,6-11H2,1-5H3
InChIKeyXCFWGZZTJXUKOY-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dimethylmorpholin-4-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62257511
N-tert-butyl-2-methyl-2-[(3-methylmorpholin-4-yl)methyl]pentan-1-amine
CID 62257332
5-(3-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine
CID 62421023
2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 55216025
2-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 79945731
2-(ethylamino)-2-methyl-3-(3-methylmorpholin-4-yl)propan-1-ol
CID 64796611
2-[(2-ethylmorpholin-4-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62258034
N-[2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 62256327
2,2-dimethyl-3-(3-methylmorpholin-4-yl)propanal
CID 62278488
3-[1-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]pyrrolidin-2-yl]propan-1-ol
CID 62479393
2-[(4-tert-butylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62258815
2-methyl-N-propan-2-yl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butan-1-amine
CID 62968299

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-methyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propan-2-ylbutan-1-amine (CID 55051923) is 2-methyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-methyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-methyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propan-2-ylbutan-1-amine is CCC(C)(CNC(C)C)CN1CCOCC1C.
What is the InChIKey of 2-methyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propan-2-ylbutan-1-amine?
The InChIKey is XCFWGZZTJXUKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-6-14(5,10-15-12(2)3)11-16-7-8-17-9-13(16)4/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 2-methyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propan-2-ylbutan-1-amine?
2-methyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propan-2-ylbutan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 55051923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).