3-(3-ethylmorpholin-4-yl)-N,2-dimethylbutan-1-amine

C12H26N2O — CID 79408287

IUPAC3-(3-ethylmorpholin-4-yl)-N,2-dimethylbutan-1-amine
SMILESCCC1COCCN1C(C)C(C)CNC
InChIInChI=1S/C12H26N2O/c1-5-12-9-15-7-6-14(12)11(3)10(2)8-13-4/h10-13H,5-9H2,1-4H3
InChIKeyKUJMQXHZZZLJHA-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds5

About 3-(3-ethylmorpholin-4-yl)-N,2-dimethylbutan-1-amine

3-(3-ethylmorpholin-4-yl)-N,2-dimethylbutan-1-amine (PubChem CID 79408287) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-(3-ethylmorpholin-4-yl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(3-ethylmorpholin-4-yl)-N,2-dimethylbutan-1-amine
PubChem CID79408287
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-(3-ethylmorpholin-4-yl)-N,2-dimethylbutan-1-amine
SMILESCCC1COCCN1C(C)C(C)CNC
InChIInChI=1S/C12H26N2O/c1-5-12-9-15-7-6-14(12)11(3)10(2)8-13-4/h10-13H,5-9H2,1-4H3
InChIKeyKUJMQXHZZZLJHA-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-ethylmorpholin-4-yl)-2-methylbutyl]cyclopropanamine
CID 79408501
2-(3-ethylmorpholin-4-yl)-N,3-dimethylbutan-1-amine
CID 62432213
2-(3-ethylmorpholin-4-yl)-N-propan-2-ylpropan-1-amine
CID 62431857
3-(5-ethyl-2-methylmorpholin-4-yl)-N,2-dimethylbutan-1-amine
CID 79409058
N-[2-(3-ethylmorpholin-4-yl)propyl]cyclopropanamine
CID 62431858
2-(3-ethylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62570658
N,2-dimethyl-3-morpholin-4-ylbutan-1-amine
CID 79414599
2-(3-ethylmorpholin-4-yl)pentan-1-amine
CID 43612958
2-(3-ethylmorpholin-4-yl)-N-propylbutan-1-amine
CID 62432044
4-amino-3-(3-ethylmorpholin-4-yl)-N-methylbutanamide
CID 66427985
N-ethyl-4-(3-ethylmorpholin-4-yl)pentan-1-amine
CID 62432412
4-(3-ethylmorpholin-4-yl)-N-propylpentan-2-amine
CID 64706364

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylmorpholin-4-yl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 3-(3-ethylmorpholin-4-yl)-N,2-dimethylbutan-1-amine (CID 79408287) is 3-(3-ethylmorpholin-4-yl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 3-(3-ethylmorpholin-4-yl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 3-(3-ethylmorpholin-4-yl)-N,2-dimethylbutan-1-amine is CCC1COCCN1C(C)C(C)CNC.
What is the InChIKey of 3-(3-ethylmorpholin-4-yl)-N,2-dimethylbutan-1-amine?
The InChIKey is KUJMQXHZZZLJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-12-9-15-7-6-14(12)11(3)10(2)8-13-4/h10-13H,5-9H2,1-4H3.
What are the key properties of 3-(3-ethylmorpholin-4-yl)-N,2-dimethylbutan-1-amine?
3-(3-ethylmorpholin-4-yl)-N,2-dimethylbutan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylmorpholin-4-yl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 79408287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).