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

C12H26N2O — CID 62432232

IUPAC2-(2,2-dimethylmorpholin-4-yl)-N,3-dimethylbutan-1-amine
SMILESCNCC(C(C)C)N1CCOC(C)(C)C1
InChIInChI=1S/C12H26N2O/c1-10(2)11(8-13-5)14-6-7-15-12(3,4)9-14/h10-11,13H,6-9H2,1-5H3
InChIKeyNGUKVVXSUOFERJ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds4

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

2-(2,2-dimethylmorpholin-4-yl)-N,3-dimethylbutan-1-amine (PubChem CID 62432232) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)-N,3-dimethylbutan-1-amine
PubChem CID62432232
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)-N,3-dimethylbutan-1-amine
SMILESCNCC(C(C)C)N1CCOC(C)(C)C1
InChIInChI=1S/C12H26N2O/c1-10(2)11(8-13-5)14-6-7-15-12(3,4)9-14/h10-11,13H,6-9H2,1-5H3
InChIKeyNGUKVVXSUOFERJ-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 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 ≤ 51.34
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)-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-N,3-dimethylbutan-1-amine (CID 62432232) is 2-(2,2-dimethylmorpholin-4-yl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)-N,3-dimethylbutan-1-amine is CNCC(C(C)C)N1CCOC(C)(C)C1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)-N,3-dimethylbutan-1-amine?
The InChIKey is NGUKVVXSUOFERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)11(8-13-5)14-6-7-15-12(3,4)9-14/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)-N,3-dimethylbutan-1-amine?
2-(2,2-dimethylmorpholin-4-yl)-N,3-dimethylbutan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 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)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 62432232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).