2-aminobutan-2-ol;N-methylmethanamine

C6H18N2O — CID 174452553

IUPAC2-aminobutan-2-ol;N-methylmethanamine
SMILESCCC(C)(N)O.CNC
InChIInChI=1S/C4H11NO.C2H7N/c1-3-4(2,5)6;1-3-2/h6H,3,5H2,1-2H3;3H,1-2H3
InChIKeySLKWGAZLEGFWCE-UHFFFAOYSA-N
MW134.22 g/mol
LogP-0.10
Rot. Bonds1

About 2-aminobutan-2-ol;N-methylmethanamine

2-aminobutan-2-ol;N-methylmethanamine (PubChem CID 174452553) has the molecular formula C6H18N2O and a molecular weight of 134.22 g/mol. Its IUPAC name is 2-aminobutan-2-ol;N-methylmethanamine.

Molecular Properties

Compound Name2-aminobutan-2-ol;N-methylmethanamine
PubChem CID174452553
Molecular FormulaC6H18N2O
Molecular Weight134.22 g/mol
Exact Mass134.14
IUPAC Name2-aminobutan-2-ol;N-methylmethanamine
SMILESCCC(C)(N)O.CNC
InChIInChI=1S/C4H11NO.C2H7N/c1-3-4(2,5)6;1-3-2/h6H,3,5H2,1-2H3;3H,1-2H3
InChIKeySLKWGAZLEGFWCE-UHFFFAOYSA-N
XLogP-0.10
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminobutan-2-ol;N-methylmethanamine?
The IUPAC name of 2-aminobutan-2-ol;N-methylmethanamine (CID 174452553) is 2-aminobutan-2-ol;N-methylmethanamine.
What is the SMILES notation for 2-aminobutan-2-ol;N-methylmethanamine?
The canonical SMILES for 2-aminobutan-2-ol;N-methylmethanamine is CCC(C)(N)O.CNC.
What is the InChIKey of 2-aminobutan-2-ol;N-methylmethanamine?
The InChIKey is SLKWGAZLEGFWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C2H7N/c1-3-4(2,5)6;1-3-2/h6H,3,5H2,1-2H3;3H,1-2H3.
What are the key properties of 2-aminobutan-2-ol;N-methylmethanamine?
2-aminobutan-2-ol;N-methylmethanamine has a molecular weight of 134.22 g/mol, XLogP of -0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutan-2-ol;N-methylmethanamine is sourced from PubChem (CID 174452553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).