2-[[(E)-but-1-enyl]amino]propan-2-ol

C7H15NO — CID 143631097

IUPAC2-[[(E)-but-1-enyl]amino]propan-2-ol
SMILESCC/C=C/NC(C)(C)O
InChIInChI=1S/C7H15NO/c1-4-5-6-8-7(2,3)9/h5-6,8-9H,4H2,1-3H3/b6-5+
InChIKeyILHKCHPBAHXMLG-AATRIKPKSA-N
MW129.20 g/mol
LogP1.23
Rot. Bonds3

About 2-[[(E)-but-1-enyl]amino]propan-2-ol

2-[[(E)-but-1-enyl]amino]propan-2-ol (PubChem CID 143631097) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-[[(E)-but-1-enyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-[[(E)-but-1-enyl]amino]propan-2-ol
PubChem CID143631097
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-[[(E)-but-1-enyl]amino]propan-2-ol
SMILESCC/C=C/NC(C)(C)O
InChIInChI=1S/C7H15NO/c1-4-5-6-8-7(2,3)9/h5-6,8-9H,4H2,1-3H3/b6-5+
InChIKeyILHKCHPBAHXMLG-AATRIKPKSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 58879098
CID 58879098
CID 153789263
CID 153789263
CID 163632275
CID 163632275
CID 163709221
CID 163709221
CID 163953980
CID 163953980
CID 145591393
CID 145591393
CID 163632276
CID 163632276

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-but-1-enyl]amino]propan-2-ol?
The IUPAC name of 2-[[(E)-but-1-enyl]amino]propan-2-ol (CID 143631097) is 2-[[(E)-but-1-enyl]amino]propan-2-ol.
What is the SMILES notation for 2-[[(E)-but-1-enyl]amino]propan-2-ol?
The canonical SMILES for 2-[[(E)-but-1-enyl]amino]propan-2-ol is CC/C=C/NC(C)(C)O.
What is the InChIKey of 2-[[(E)-but-1-enyl]amino]propan-2-ol?
The InChIKey is ILHKCHPBAHXMLG-AATRIKPKSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5-6-8-7(2,3)9/h5-6,8-9H,4H2,1-3H3/b6-5+.
What are the key properties of 2-[[(E)-but-1-enyl]amino]propan-2-ol?
2-[[(E)-but-1-enyl]amino]propan-2-ol has a molecular weight of 129.20 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-1-enyl]amino]propan-2-ol is sourced from PubChem (CID 143631097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).