3-(methylamino)butan-1-ol

C5H13NO — CID 12636118

IUPAC3-(methylamino)butan-1-ol
SMILESCNC(C)CCO
InChIInChI=1S/C5H13NO/c1-5(6-2)3-4-7/h5-7H,3-4H2,1-2H3
InChIKeyHNNZBZKURNBXOO-UHFFFAOYSA-N
MW103.17 g/mol
LogP-0.02
Rot. Bonds3

About 3-(methylamino)butan-1-ol

3-(methylamino)butan-1-ol (PubChem CID 12636118) has the molecular formula C5H13NO and a molecular weight of 103.17 g/mol. Its IUPAC name is 3-(methylamino)butan-1-ol.

Molecular Properties

Compound Name3-(methylamino)butan-1-ol
PubChem CID12636118
Molecular FormulaC5H13NO
Molecular Weight103.17 g/mol
Exact Mass103.10
IUPAC Name3-(methylamino)butan-1-ol
SMILESCNC(C)CCO
InChIInChI=1S/C5H13NO/c1-5(6-2)3-4-7/h5-7H,3-4H2,1-2H3
InChIKeyHNNZBZKURNBXOO-UHFFFAOYSA-N
XLogP-0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)butan-1-ol?
The IUPAC name of 3-(methylamino)butan-1-ol (CID 12636118) is 3-(methylamino)butan-1-ol.
What is the SMILES notation for 3-(methylamino)butan-1-ol?
The canonical SMILES for 3-(methylamino)butan-1-ol is CNC(C)CCO.
What is the InChIKey of 3-(methylamino)butan-1-ol?
The InChIKey is HNNZBZKURNBXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO/c1-5(6-2)3-4-7/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-(methylamino)butan-1-ol?
3-(methylamino)butan-1-ol has a molecular weight of 103.17 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)butan-1-ol is sourced from PubChem (CID 12636118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).