2-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-amine

C12H26N2O — CID 43592633

IUPAC2-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-amine
SMILESCC(C)CC(CN)N1CCOC(C)(C)C1
InChIInChI=1S/C12H26N2O/c1-10(2)7-11(8-13)14-5-6-15-12(3,4)9-14/h10-11H,5-9,13H2,1-4H3
InChIKeyALSSVABJHUPJOD-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds4

About 2-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-amine

2-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-amine (PubChem CID 43592633) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-amine
PubChem CID43592633
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-amine
SMILESCC(C)CC(CN)N1CCOC(C)(C)C1
InChIInChI=1S/C12H26N2O/c1-10(2)7-11(8-13)14-5-6-15-12(3,4)9-14/h10-11H,5-9,13H2,1-4H3
InChIKeyALSSVABJHUPJOD-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-amine?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-amine (CID 43592633) is 2-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-amine.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-amine?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-amine is CC(C)CC(CN)N1CCOC(C)(C)C1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-amine?
The InChIKey is ALSSVABJHUPJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)7-11(8-13)14-5-6-15-12(3,4)9-14/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-amine?
2-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)-4-methylpentan-1-amine is sourced from PubChem (CID 43592633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).