4-amino-2-methylpent-1-en-3-ol

C6H13NO — CID 55284173

IUPAC4-amino-2-methylpent-1-en-3-ol
SMILESC=C(C)C(O)C(C)N
InChIInChI=1S/C6H13NO/c1-4(2)6(8)5(3)7/h5-6,8H,1,7H2,2-3H3
InChIKeyMBQMRUYRTASWMG-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.27
Rot. Bonds2

About 4-amino-2-methylpent-1-en-3-ol

4-amino-2-methylpent-1-en-3-ol (PubChem CID 55284173) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 4-amino-2-methylpent-1-en-3-ol.

Molecular Properties

Compound Name4-amino-2-methylpent-1-en-3-ol
PubChem CID55284173
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name4-amino-2-methylpent-1-en-3-ol
SMILESC=C(C)C(O)C(C)N
InChIInChI=1S/C6H13NO/c1-4(2)6(8)5(3)7/h5-6,8H,1,7H2,2-3H3
InChIKeyMBQMRUYRTASWMG-UHFFFAOYSA-N
XLogP0.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylpent-1-en-3-ol?
The IUPAC name of 4-amino-2-methylpent-1-en-3-ol (CID 55284173) is 4-amino-2-methylpent-1-en-3-ol.
What is the SMILES notation for 4-amino-2-methylpent-1-en-3-ol?
The canonical SMILES for 4-amino-2-methylpent-1-en-3-ol is C=C(C)C(O)C(C)N.
What is the InChIKey of 4-amino-2-methylpent-1-en-3-ol?
The InChIKey is MBQMRUYRTASWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-4(2)6(8)5(3)7/h5-6,8H,1,7H2,2-3H3.
What are the key properties of 4-amino-2-methylpent-1-en-3-ol?
4-amino-2-methylpent-1-en-3-ol has a molecular weight of 115.18 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylpent-1-en-3-ol is sourced from PubChem (CID 55284173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).