1-(prop-2-enylamino)propan-2-ol

C6H13NO — CID 10464329

IUPAC1-(prop-2-enylamino)propan-2-ol
SMILESC=CCNCC(C)O
InChIInChI=1S/C6H13NO/c1-3-4-7-5-6(2)8/h3,6-8H,1,4-5H2,2H3
InChIKeyZYTBSLSYGOPWGB-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.14
Rot. Bonds4

About 1-(prop-2-enylamino)propan-2-ol

1-(prop-2-enylamino)propan-2-ol (PubChem CID 10464329) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-(prop-2-enylamino)propan-2-ol.

Molecular Properties

Compound Name1-(prop-2-enylamino)propan-2-ol
PubChem CID10464329
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name1-(prop-2-enylamino)propan-2-ol
SMILESC=CCNCC(C)O
InChIInChI=1S/C6H13NO/c1-3-4-7-5-6(2)8/h3,6-8H,1,4-5H2,2H3
InChIKeyZYTBSLSYGOPWGB-UHFFFAOYSA-N
XLogP0.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.14
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 1-(prop-2-enylamino)propan-2-ol?
The IUPAC name of 1-(prop-2-enylamino)propan-2-ol (CID 10464329) is 1-(prop-2-enylamino)propan-2-ol.
What is the SMILES notation for 1-(prop-2-enylamino)propan-2-ol?
The canonical SMILES for 1-(prop-2-enylamino)propan-2-ol is C=CCNCC(C)O.
What is the InChIKey of 1-(prop-2-enylamino)propan-2-ol?
The InChIKey is ZYTBSLSYGOPWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-4-7-5-6(2)8/h3,6-8H,1,4-5H2,2H3.
What are the key properties of 1-(prop-2-enylamino)propan-2-ol?
1-(prop-2-enylamino)propan-2-ol has a molecular weight of 115.18 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enylamino)propan-2-ol is sourced from PubChem (CID 10464329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).