2-[1-(prop-2-enylamino)propylamino]ethanol

C8H18N2O — CID 88814012

IUPAC2-[1-(prop-2-enylamino)propylamino]ethanol
SMILESC=CCNC(CC)NCCO
InChIInChI=1S/C8H18N2O/c1-3-5-9-8(4-2)10-6-7-11/h3,8-11H,1,4-7H2,2H3
InChIKeyGOKHQRVCLLFQLG-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.08
Rot. Bonds7

About 2-[1-(prop-2-enylamino)propylamino]ethanol

2-[1-(prop-2-enylamino)propylamino]ethanol (PubChem CID 88814012) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 2-[1-(prop-2-enylamino)propylamino]ethanol.

Molecular Properties

Compound Name2-[1-(prop-2-enylamino)propylamino]ethanol
PubChem CID88814012
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name2-[1-(prop-2-enylamino)propylamino]ethanol
SMILESC=CCNC(CC)NCCO
InChIInChI=1S/C8H18N2O/c1-3-5-9-8(4-2)10-6-7-11/h3,8-11H,1,4-7H2,2H3
InChIKeyGOKHQRVCLLFQLG-UHFFFAOYSA-N
XLogP0.08
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[1-(prop-2-enylamino)propylamino]ethanol?
The IUPAC name of 2-[1-(prop-2-enylamino)propylamino]ethanol (CID 88814012) is 2-[1-(prop-2-enylamino)propylamino]ethanol.
What is the SMILES notation for 2-[1-(prop-2-enylamino)propylamino]ethanol?
The canonical SMILES for 2-[1-(prop-2-enylamino)propylamino]ethanol is C=CCNC(CC)NCCO.
What is the InChIKey of 2-[1-(prop-2-enylamino)propylamino]ethanol?
The InChIKey is GOKHQRVCLLFQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-5-9-8(4-2)10-6-7-11/h3,8-11H,1,4-7H2,2H3.
What are the key properties of 2-[1-(prop-2-enylamino)propylamino]ethanol?
2-[1-(prop-2-enylamino)propylamino]ethanol has a molecular weight of 158.25 g/mol, XLogP of 0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(prop-2-enylamino)propylamino]ethanol is sourced from PubChem (CID 88814012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).