4-amino-3-methylbutan-1-ol

C5H13NO — CID 11332423

IUPAC4-amino-3-methylbutan-1-ol
SMILESCC(CN)CCO
InChIInChI=1S/C5H13NO/c1-5(4-6)2-3-7/h5,7H,2-4,6H2,1H3
InChIKeyQZSYAXJCRMECOT-UHFFFAOYSA-N
MW103.17 g/mol
LogP-0.04
Rot. Bonds3

About 4-amino-3-methylbutan-1-ol

4-amino-3-methylbutan-1-ol (PubChem CID 11332423) has the molecular formula C5H13NO and a molecular weight of 103.17 g/mol. Its IUPAC name is 4-amino-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-amino-3-methylbutan-1-ol
PubChem CID11332423
Molecular FormulaC5H13NO
Molecular Weight103.17 g/mol
Exact Mass103.10
IUPAC Name4-amino-3-methylbutan-1-ol
SMILESCC(CN)CCO
InChIInChI=1S/C5H13NO/c1-5(4-6)2-3-7/h5,7H,2-4,6H2,1H3
InChIKeyQZSYAXJCRMECOT-UHFFFAOYSA-N
XLogP-0.04
TPSA46.25 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 ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methylbutan-1-ol?
The IUPAC name of 4-amino-3-methylbutan-1-ol (CID 11332423) is 4-amino-3-methylbutan-1-ol.
What is the SMILES notation for 4-amino-3-methylbutan-1-ol?
The canonical SMILES for 4-amino-3-methylbutan-1-ol is CC(CN)CCO.
What is the InChIKey of 4-amino-3-methylbutan-1-ol?
The InChIKey is QZSYAXJCRMECOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO/c1-5(4-6)2-3-7/h5,7H,2-4,6H2,1H3.
What are the key properties of 4-amino-3-methylbutan-1-ol?
4-amino-3-methylbutan-1-ol has a molecular weight of 103.17 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methylbutan-1-ol is sourced from PubChem (CID 11332423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).