3-(butylamino)prop-1-en-2-ol

C7H15NO — CID 146870024

IUPAC3-(butylamino)prop-1-en-2-ol
SMILESC=C(O)CNCCCC
InChIInChI=1S/C7H15NO/c1-3-4-5-8-6-7(2)9/h8-9H,2-6H2,1H3
InChIKeySNVMWQLRHHIGAX-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.45
Rot. Bonds5

About 3-(butylamino)prop-1-en-2-ol

3-(butylamino)prop-1-en-2-ol (PubChem CID 146870024) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-(butylamino)prop-1-en-2-ol.

Molecular Properties

Compound Name3-(butylamino)prop-1-en-2-ol
PubChem CID146870024
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-(butylamino)prop-1-en-2-ol
SMILESC=C(O)CNCCCC
InChIInChI=1S/C7H15NO/c1-3-4-5-8-6-7(2)9/h8-9H,2-6H2,1H3
InChIKeySNVMWQLRHHIGAX-UHFFFAOYSA-N
XLogP1.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.45
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 3-(butylamino)prop-1-en-2-ol?
The IUPAC name of 3-(butylamino)prop-1-en-2-ol (CID 146870024) is 3-(butylamino)prop-1-en-2-ol.
What is the SMILES notation for 3-(butylamino)prop-1-en-2-ol?
The canonical SMILES for 3-(butylamino)prop-1-en-2-ol is C=C(O)CNCCCC.
What is the InChIKey of 3-(butylamino)prop-1-en-2-ol?
The InChIKey is SNVMWQLRHHIGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-4-5-8-6-7(2)9/h8-9H,2-6H2,1H3.
What are the key properties of 3-(butylamino)prop-1-en-2-ol?
3-(butylamino)prop-1-en-2-ol has a molecular weight of 129.20 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylamino)prop-1-en-2-ol is sourced from PubChem (CID 146870024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).