2-[3-(prop-2-enylamino)butylamino]ethanol

C9H20N2O — CID 88783272

IUPAC2-[3-(prop-2-enylamino)butylamino]ethanol
SMILESC=CCNC(C)CCNCCO
InChIInChI=1S/C9H20N2O/c1-3-5-11-9(2)4-6-10-7-8-12/h3,9-12H,1,4-8H2,2H3
InChIKeyLOTZPQPHWUPPTE-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.12
Rot. Bonds8

About 2-[3-(prop-2-enylamino)butylamino]ethanol

2-[3-(prop-2-enylamino)butylamino]ethanol (PubChem CID 88783272) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-[3-(prop-2-enylamino)butylamino]ethanol.

Molecular Properties

Compound Name2-[3-(prop-2-enylamino)butylamino]ethanol
PubChem CID88783272
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-[3-(prop-2-enylamino)butylamino]ethanol
SMILESC=CCNC(C)CCNCCO
InChIInChI=1S/C9H20N2O/c1-3-5-11-9(2)4-6-10-7-8-12/h3,9-12H,1,4-8H2,2H3
InChIKeyLOTZPQPHWUPPTE-UHFFFAOYSA-N
XLogP0.12
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-[3-(prop-2-enylamino)butylamino]ethanol?
The IUPAC name of 2-[3-(prop-2-enylamino)butylamino]ethanol (CID 88783272) is 2-[3-(prop-2-enylamino)butylamino]ethanol.
What is the SMILES notation for 2-[3-(prop-2-enylamino)butylamino]ethanol?
The canonical SMILES for 2-[3-(prop-2-enylamino)butylamino]ethanol is C=CCNC(C)CCNCCO.
What is the InChIKey of 2-[3-(prop-2-enylamino)butylamino]ethanol?
The InChIKey is LOTZPQPHWUPPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-5-11-9(2)4-6-10-7-8-12/h3,9-12H,1,4-8H2,2H3.
What are the key properties of 2-[3-(prop-2-enylamino)butylamino]ethanol?
2-[3-(prop-2-enylamino)butylamino]ethanol has a molecular weight of 172.27 g/mol, XLogP of 0.12, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(prop-2-enylamino)butylamino]ethanol is sourced from PubChem (CID 88783272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).