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

C9H19NO — CID 66091832

IUPAC4-(but-3-enylamino)-3-methylbutan-1-ol
SMILESC=CCCNCC(C)CCO
InChIInChI=1S/C9H19NO/c1-3-4-6-10-8-9(2)5-7-11/h3,9-11H,1,4-8H2,2H3
InChIKeyOKIXIJRCOTZLPW-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.17
Rot. Bonds7

About 4-(but-3-enylamino)-3-methylbutan-1-ol

4-(but-3-enylamino)-3-methylbutan-1-ol (PubChem CID 66091832) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-(but-3-enylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-(but-3-enylamino)-3-methylbutan-1-ol
PubChem CID66091832
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-(but-3-enylamino)-3-methylbutan-1-ol
SMILESC=CCCNCC(C)CCO
InChIInChI=1S/C9H19NO/c1-3-4-6-10-8-9(2)5-7-11/h3,9-11H,1,4-8H2,2H3
InChIKeyOKIXIJRCOTZLPW-UHFFFAOYSA-N
XLogP1.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.17
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 4-(but-3-enylamino)-3-methylbutan-1-ol?
The IUPAC name of 4-(but-3-enylamino)-3-methylbutan-1-ol (CID 66091832) is 4-(but-3-enylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 4-(but-3-enylamino)-3-methylbutan-1-ol?
The canonical SMILES for 4-(but-3-enylamino)-3-methylbutan-1-ol is C=CCCNCC(C)CCO.
What is the InChIKey of 4-(but-3-enylamino)-3-methylbutan-1-ol?
The InChIKey is OKIXIJRCOTZLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-6-10-8-9(2)5-7-11/h3,9-11H,1,4-8H2,2H3.
What are the key properties of 4-(but-3-enylamino)-3-methylbutan-1-ol?
4-(but-3-enylamino)-3-methylbutan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(but-3-enylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 66091832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).