3-(propan-2-ylamino)but-1-en-2-ol

C7H15NO — CID 148850805

IUPAC3-(propan-2-ylamino)but-1-en-2-ol
SMILESC=C(O)C(C)NC(C)C
InChIInChI=1S/C7H15NO/c1-5(2)8-6(3)7(4)9/h5-6,8-9H,4H2,1-3H3
InChIKeyOXKFLJSMRBRFRB-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.44
Rot. Bonds3

About 3-(propan-2-ylamino)but-1-en-2-ol

3-(propan-2-ylamino)but-1-en-2-ol (PubChem CID 148850805) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-(propan-2-ylamino)but-1-en-2-ol.

Molecular Properties

Compound Name3-(propan-2-ylamino)but-1-en-2-ol
PubChem CID148850805
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-(propan-2-ylamino)but-1-en-2-ol
SMILESC=C(O)C(C)NC(C)C
InChIInChI=1S/C7H15NO/c1-5(2)8-6(3)7(4)9/h5-6,8-9H,4H2,1-3H3
InChIKeyOXKFLJSMRBRFRB-UHFFFAOYSA-N
XLogP1.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)but-1-en-2-ol?
The IUPAC name of 3-(propan-2-ylamino)but-1-en-2-ol (CID 148850805) is 3-(propan-2-ylamino)but-1-en-2-ol.
What is the SMILES notation for 3-(propan-2-ylamino)but-1-en-2-ol?
The canonical SMILES for 3-(propan-2-ylamino)but-1-en-2-ol is C=C(O)C(C)NC(C)C.
What is the InChIKey of 3-(propan-2-ylamino)but-1-en-2-ol?
The InChIKey is OXKFLJSMRBRFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-5(2)8-6(3)7(4)9/h5-6,8-9H,4H2,1-3H3.
What are the key properties of 3-(propan-2-ylamino)but-1-en-2-ol?
3-(propan-2-ylamino)but-1-en-2-ol has a molecular weight of 129.20 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)but-1-en-2-ol is sourced from PubChem (CID 148850805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).