3-amino-2-methylbutan-1-ol

C5H13NO — CID 12542086

IUPAC3-amino-2-methylbutan-1-ol
SMILESCC(N)C(C)CO
InChIInChI=1S/C5H13NO/c1-4(3-7)5(2)6/h4-5,7H,3,6H2,1-2H3
InChIKeyPTQQVFJSDCETDR-UHFFFAOYSA-N
MW103.17 g/mol
LogP-0.04
Rot. Bonds2

About 3-amino-2-methylbutan-1-ol

3-amino-2-methylbutan-1-ol (PubChem CID 12542086) has the molecular formula C5H13NO and a molecular weight of 103.17 g/mol. Its IUPAC name is 3-amino-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-amino-2-methylbutan-1-ol
PubChem CID12542086
Molecular FormulaC5H13NO
Molecular Weight103.17 g/mol
Exact Mass103.10
IUPAC Name3-amino-2-methylbutan-1-ol
SMILESCC(N)C(C)CO
InChIInChI=1S/C5H13NO/c1-4(3-7)5(2)6/h4-5,7H,3,6H2,1-2H3
InChIKeyPTQQVFJSDCETDR-UHFFFAOYSA-N
XLogP-0.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methylbutan-1-ol?
The IUPAC name of 3-amino-2-methylbutan-1-ol (CID 12542086) is 3-amino-2-methylbutan-1-ol.
What is the SMILES notation for 3-amino-2-methylbutan-1-ol?
The canonical SMILES for 3-amino-2-methylbutan-1-ol is CC(N)C(C)CO.
What is the InChIKey of 3-amino-2-methylbutan-1-ol?
The InChIKey is PTQQVFJSDCETDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO/c1-4(3-7)5(2)6/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 3-amino-2-methylbutan-1-ol?
3-amino-2-methylbutan-1-ol has a molecular weight of 103.17 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylbutan-1-ol is sourced from PubChem (CID 12542086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).