3-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylbutanamide;dihydrochloride

C13H29Cl2N3O2 — CID 120503703

IUPAC3-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylbutanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)NCCN1CCOCC1(C)C.Cl.Cl
InChIInChI=1S/C13H27N3O2.2ClH/c1-10(11(2)14)12(17)15-5-6-16-7-8-18-9-13(16,3)4;;/h10-11H,5-9,14H2,1-4H3,(H,15,17);2*1H
InChIKeyQBEGOBDDIJMLHG-UHFFFAOYSA-N
MW330.30 g/mol
LogP1.04
Rot. Bonds5

About 3-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylbutanamide;dihydrochloride

3-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylbutanamide;dihydrochloride (PubChem CID 120503703) has the molecular formula C13H29Cl2N3O2 and a molecular weight of 330.30 g/mol. Its IUPAC name is 3-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylbutanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylbutanamide;dihydrochloride
PubChem CID120503703
Molecular FormulaC13H29Cl2N3O2
Molecular Weight330.30 g/mol
Exact Mass329.16
IUPAC Name3-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylbutanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)NCCN1CCOCC1(C)C.Cl.Cl
InChIInChI=1S/C13H27N3O2.2ClH/c1-10(11(2)14)12(17)15-5-6-16-7-8-18-9-13(16,3)4;;/h10-11H,5-9,14H2,1-4H3,(H,15,17);2*1H
InChIKeyQBEGOBDDIJMLHG-UHFFFAOYSA-N
XLogP1.04
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylbutanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylbutanamide;dihydrochloride (CID 120503703) is 3-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylbutanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylbutanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylbutanamide;dihydrochloride is CC(N)C(C)C(=O)NCCN1CCOCC1(C)C.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylbutanamide;dihydrochloride?
The InChIKey is QBEGOBDDIJMLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2.2ClH/c1-10(11(2)14)12(17)15-5-6-16-7-8-18-9-13(16,3)4;;/h10-11H,5-9,14H2,1-4H3,(H,15,17);2*1H.
What are the key properties of 3-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylbutanamide;dihydrochloride?
3-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylbutanamide;dihydrochloride has a molecular weight of 330.30 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylbutanamide;dihydrochloride is sourced from PubChem (CID 120503703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).