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

C6H13NO — CID 87328972

IUPAC2-(prop-2-enylamino)propan-2-ol
SMILESC=CCNC(C)(C)O
InChIInChI=1S/C6H13NO/c1-4-5-7-6(2,3)8/h4,7-8H,1,5H2,2-3H3
InChIKeyISQALDIOSWNJDP-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.49
Rot. Bonds3

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

2-(prop-2-enylamino)propan-2-ol (PubChem CID 87328972) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-(prop-2-enylamino)propan-2-ol.

Molecular Properties

Compound Name2-(prop-2-enylamino)propan-2-ol
PubChem CID87328972
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-(prop-2-enylamino)propan-2-ol
SMILESC=CCNC(C)(C)O
InChIInChI=1S/C6H13NO/c1-4-5-7-6(2,3)8/h4,7-8H,1,5H2,2-3H3
InChIKeyISQALDIOSWNJDP-UHFFFAOYSA-N
XLogP0.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)propan-2-ol?
The IUPAC name of 2-(prop-2-enylamino)propan-2-ol (CID 87328972) is 2-(prop-2-enylamino)propan-2-ol.
What is the SMILES notation for 2-(prop-2-enylamino)propan-2-ol?
The canonical SMILES for 2-(prop-2-enylamino)propan-2-ol is C=CCNC(C)(C)O.
What is the InChIKey of 2-(prop-2-enylamino)propan-2-ol?
The InChIKey is ISQALDIOSWNJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-5-7-6(2,3)8/h4,7-8H,1,5H2,2-3H3.
What are the key properties of 2-(prop-2-enylamino)propan-2-ol?
2-(prop-2-enylamino)propan-2-ol has a molecular weight of 115.18 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)propan-2-ol is sourced from PubChem (CID 87328972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).