2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine

C13H28N2O — CID 62949677

IUPAC2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine
SMILESCCC1CN(C(CN)CC(C)(C)C)CCO1
InChIInChI=1S/C13H28N2O/c1-5-12-10-15(6-7-16-12)11(9-14)8-13(2,3)4/h11-12H,5-10,14H2,1-4H3
InChIKeyHPPGOHIESJRATM-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds4

About 2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine

2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine (PubChem CID 62949677) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine
PubChem CID62949677
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine
SMILESCCC1CN(C(CN)CC(C)(C)C)CCO1
InChIInChI=1S/C13H28N2O/c1-5-12-10-15(6-7-16-12)11(9-14)8-13(2,3)4/h11-12H,5-10,14H2,1-4H3
InChIKeyHPPGOHIESJRATM-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine?
The IUPAC name of 2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine (CID 62949677) is 2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for 2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine is CCC1CN(C(CN)CC(C)(C)C)CCO1.
What is the InChIKey of 2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine?
The InChIKey is HPPGOHIESJRATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-12-10-15(6-7-16-12)11(9-14)8-13(2,3)4/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine?
2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 62949677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).