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

C6H13NO — CID 15469760

IUPAC3-(prop-2-enylamino)propan-1-ol
SMILESC=CCNCCCO
InChIInChI=1S/C6H13NO/c1-2-4-7-5-3-6-8/h2,7-8H,1,3-6H2
InChIKeyREEDHRZKDCEJEW-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.14
Rot. Bonds5

About 3-(prop-2-enylamino)propan-1-ol

3-(prop-2-enylamino)propan-1-ol (PubChem CID 15469760) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-(prop-2-enylamino)propan-1-ol.

Molecular Properties

Compound Name3-(prop-2-enylamino)propan-1-ol
PubChem CID15469760
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-(prop-2-enylamino)propan-1-ol
SMILESC=CCNCCCO
InChIInChI=1S/C6H13NO/c1-2-4-7-5-3-6-8/h2,7-8H,1,3-6H2
InChIKeyREEDHRZKDCEJEW-UHFFFAOYSA-N
XLogP0.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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 3-(prop-2-enylamino)propan-1-ol?
The IUPAC name of 3-(prop-2-enylamino)propan-1-ol (CID 15469760) is 3-(prop-2-enylamino)propan-1-ol.
What is the SMILES notation for 3-(prop-2-enylamino)propan-1-ol?
The canonical SMILES for 3-(prop-2-enylamino)propan-1-ol is C=CCNCCCO.
What is the InChIKey of 3-(prop-2-enylamino)propan-1-ol?
The InChIKey is REEDHRZKDCEJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-2-4-7-5-3-6-8/h2,7-8H,1,3-6H2.
What are the key properties of 3-(prop-2-enylamino)propan-1-ol?
3-(prop-2-enylamino)propan-1-ol has a molecular weight of 115.18 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enylamino)propan-1-ol is sourced from PubChem (CID 15469760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).