2-methyl-4-morpholin-4-ylbutan-2-amine;dihydrochloride

C9H22Cl2N2O — CID 134690976

IUPAC2-methyl-4-morpholin-4-ylbutan-2-amine;dihydrochloride
SMILESCC(C)(N)CCN1CCOCC1.Cl.Cl
InChIInChI=1S/C9H20N2O.2ClH/c1-9(2,10)3-4-11-5-7-12-8-6-11;;/h3-8,10H2,1-2H3;2*1H
InChIKeyOVGCKYCHSVLAME-UHFFFAOYSA-N
MW245.19 g/mol
LogP1.29
Rot. Bonds3

About 2-methyl-4-morpholin-4-ylbutan-2-amine;dihydrochloride

2-methyl-4-morpholin-4-ylbutan-2-amine;dihydrochloride (PubChem CID 134690976) has the molecular formula C9H22Cl2N2O and a molecular weight of 245.19 g/mol. Its IUPAC name is 2-methyl-4-morpholin-4-ylbutan-2-amine;dihydrochloride.

Molecular Properties

Compound Name2-methyl-4-morpholin-4-ylbutan-2-amine;dihydrochloride
PubChem CID134690976
Molecular FormulaC9H22Cl2N2O
Molecular Weight245.19 g/mol
Exact Mass244.11
IUPAC Name2-methyl-4-morpholin-4-ylbutan-2-amine;dihydrochloride
SMILESCC(C)(N)CCN1CCOCC1.Cl.Cl
InChIInChI=1S/C9H20N2O.2ClH/c1-9(2,10)3-4-11-5-7-12-8-6-11;;/h3-8,10H2,1-2H3;2*1H
InChIKeyOVGCKYCHSVLAME-UHFFFAOYSA-N
XLogP1.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-morpholin-4-ylbutan-2-amine;dihydrochloride?
The IUPAC name of 2-methyl-4-morpholin-4-ylbutan-2-amine;dihydrochloride (CID 134690976) is 2-methyl-4-morpholin-4-ylbutan-2-amine;dihydrochloride.
What is the SMILES notation for 2-methyl-4-morpholin-4-ylbutan-2-amine;dihydrochloride?
The canonical SMILES for 2-methyl-4-morpholin-4-ylbutan-2-amine;dihydrochloride is CC(C)(N)CCN1CCOCC1.Cl.Cl.
What is the InChIKey of 2-methyl-4-morpholin-4-ylbutan-2-amine;dihydrochloride?
The InChIKey is OVGCKYCHSVLAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.2ClH/c1-9(2,10)3-4-11-5-7-12-8-6-11;;/h3-8,10H2,1-2H3;2*1H.
What are the key properties of 2-methyl-4-morpholin-4-ylbutan-2-amine;dihydrochloride?
2-methyl-4-morpholin-4-ylbutan-2-amine;dihydrochloride has a molecular weight of 245.19 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-morpholin-4-ylbutan-2-amine;dihydrochloride is sourced from PubChem (CID 134690976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).