N-ethyl-2-methyl-3-(2,2,6-trimethylmorpholin-4-yl)butan-1-amine

C14H30N2O — CID 81018637

IUPACN-ethyl-2-methyl-3-(2,2,6-trimethylmorpholin-4-yl)butan-1-amine
SMILESCCNCC(C)C(C)N1CC(C)OC(C)(C)C1
InChIInChI=1S/C14H30N2O/c1-7-15-8-11(2)13(4)16-9-12(3)17-14(5,6)10-16/h11-13,15H,7-10H2,1-6H3
InChIKeyVLAIAVORQMSISZ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds5

About N-ethyl-2-methyl-3-(2,2,6-trimethylmorpholin-4-yl)butan-1-amine

N-ethyl-2-methyl-3-(2,2,6-trimethylmorpholin-4-yl)butan-1-amine (PubChem CID 81018637) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-(2,2,6-trimethylmorpholin-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-(2,2,6-trimethylmorpholin-4-yl)butan-1-amine
PubChem CID81018637
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-ethyl-2-methyl-3-(2,2,6-trimethylmorpholin-4-yl)butan-1-amine
SMILESCCNCC(C)C(C)N1CC(C)OC(C)(C)C1
InChIInChI=1S/C14H30N2O/c1-7-15-8-11(2)13(4)16-9-12(3)17-14(5,6)10-16/h11-13,15H,7-10H2,1-6H3
InChIKeyVLAIAVORQMSISZ-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-(2,2,6-trimethylmorpholin-4-yl)butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-3-(2,2,6-trimethylmorpholin-4-yl)butan-1-amine (CID 81018637) is N-ethyl-2-methyl-3-(2,2,6-trimethylmorpholin-4-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-(2,2,6-trimethylmorpholin-4-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-3-(2,2,6-trimethylmorpholin-4-yl)butan-1-amine is CCNCC(C)C(C)N1CC(C)OC(C)(C)C1.
What is the InChIKey of N-ethyl-2-methyl-3-(2,2,6-trimethylmorpholin-4-yl)butan-1-amine?
The InChIKey is VLAIAVORQMSISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-7-15-8-11(2)13(4)16-9-12(3)17-14(5,6)10-16/h11-13,15H,7-10H2,1-6H3.
What are the key properties of N-ethyl-2-methyl-3-(2,2,6-trimethylmorpholin-4-yl)butan-1-amine?
N-ethyl-2-methyl-3-(2,2,6-trimethylmorpholin-4-yl)butan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-(2,2,6-trimethylmorpholin-4-yl)butan-1-amine is sourced from PubChem (CID 81018637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).