1-(but-3-enylamino)-2-methylbutan-2-ol

C9H19NO — CID 65106275

IUPAC1-(but-3-enylamino)-2-methylbutan-2-ol
SMILESC=CCCNCC(C)(O)CC
InChIInChI=1S/C9H19NO/c1-4-6-7-10-8-9(3,11)5-2/h4,10-11H,1,5-8H2,2-3H3
InChIKeyJIJATFFSQFJGJR-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.31
Rot. Bonds6

About 1-(but-3-enylamino)-2-methylbutan-2-ol

1-(but-3-enylamino)-2-methylbutan-2-ol (PubChem CID 65106275) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(but-3-enylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(but-3-enylamino)-2-methylbutan-2-ol
PubChem CID65106275
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(but-3-enylamino)-2-methylbutan-2-ol
SMILESC=CCCNCC(C)(O)CC
InChIInChI=1S/C9H19NO/c1-4-6-7-10-8-9(3,11)5-2/h4,10-11H,1,5-8H2,2-3H3
InChIKeyJIJATFFSQFJGJR-UHFFFAOYSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(but-3-enylamino)-2-methylbutan-2-ol?
The IUPAC name of 1-(but-3-enylamino)-2-methylbutan-2-ol (CID 65106275) is 1-(but-3-enylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(but-3-enylamino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(but-3-enylamino)-2-methylbutan-2-ol is C=CCCNCC(C)(O)CC.
What is the InChIKey of 1-(but-3-enylamino)-2-methylbutan-2-ol?
The InChIKey is JIJATFFSQFJGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-6-7-10-8-9(3,11)5-2/h4,10-11H,1,5-8H2,2-3H3.
What are the key properties of 1-(but-3-enylamino)-2-methylbutan-2-ol?
1-(but-3-enylamino)-2-methylbutan-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(but-3-enylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 65106275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).