2-methyl-4-(methylamino)butan-1-ol

C6H15NO — CID 12040650

IUPAC2-methyl-4-(methylamino)butan-1-ol
SMILESCNCCC(C)CO
InChIInChI=1S/C6H15NO/c1-6(5-8)3-4-7-2/h6-8H,3-5H2,1-2H3
InChIKeyQSFMIXLUNXROPA-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.22
Rot. Bonds4

About 2-methyl-4-(methylamino)butan-1-ol

2-methyl-4-(methylamino)butan-1-ol (PubChem CID 12040650) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 2-methyl-4-(methylamino)butan-1-ol.

Molecular Properties

Compound Name2-methyl-4-(methylamino)butan-1-ol
PubChem CID12040650
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name2-methyl-4-(methylamino)butan-1-ol
SMILESCNCCC(C)CO
InChIInChI=1S/C6H15NO/c1-6(5-8)3-4-7-2/h6-8H,3-5H2,1-2H3
InChIKeyQSFMIXLUNXROPA-UHFFFAOYSA-N
XLogP0.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(methylamino)butan-1-ol?
The IUPAC name of 2-methyl-4-(methylamino)butan-1-ol (CID 12040650) is 2-methyl-4-(methylamino)butan-1-ol.
What is the SMILES notation for 2-methyl-4-(methylamino)butan-1-ol?
The canonical SMILES for 2-methyl-4-(methylamino)butan-1-ol is CNCCC(C)CO.
What is the InChIKey of 2-methyl-4-(methylamino)butan-1-ol?
The InChIKey is QSFMIXLUNXROPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-6(5-8)3-4-7-2/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-methyl-4-(methylamino)butan-1-ol?
2-methyl-4-(methylamino)butan-1-ol has a molecular weight of 117.19 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(methylamino)butan-1-ol is sourced from PubChem (CID 12040650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).