4-(butylamino)but-1-en-2-ol

C8H17NO — CID 21458374

IUPAC4-(butylamino)but-1-en-2-ol
SMILESC=C(O)CCNCCCC
InChIInChI=1S/C8H17NO/c1-3-4-6-9-7-5-8(2)10/h9-10H,2-7H2,1H3
InChIKeyXSKXZORLPZHRGY-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.84
Rot. Bonds6

About 4-(butylamino)but-1-en-2-ol

4-(butylamino)but-1-en-2-ol (PubChem CID 21458374) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-(butylamino)but-1-en-2-ol.

Molecular Properties

Compound Name4-(butylamino)but-1-en-2-ol
PubChem CID21458374
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-(butylamino)but-1-en-2-ol
SMILESC=C(O)CCNCCCC
InChIInChI=1S/C8H17NO/c1-3-4-6-9-7-5-8(2)10/h9-10H,2-7H2,1H3
InChIKeyXSKXZORLPZHRGY-UHFFFAOYSA-N
XLogP1.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)but-1-en-2-ol?
The IUPAC name of 4-(butylamino)but-1-en-2-ol (CID 21458374) is 4-(butylamino)but-1-en-2-ol.
What is the SMILES notation for 4-(butylamino)but-1-en-2-ol?
The canonical SMILES for 4-(butylamino)but-1-en-2-ol is C=C(O)CCNCCCC.
What is the InChIKey of 4-(butylamino)but-1-en-2-ol?
The InChIKey is XSKXZORLPZHRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-6-9-7-5-8(2)10/h9-10H,2-7H2,1H3.
What are the key properties of 4-(butylamino)but-1-en-2-ol?
4-(butylamino)but-1-en-2-ol has a molecular weight of 143.23 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)but-1-en-2-ol is sourced from PubChem (CID 21458374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).