ethane-1,2-diol;ethenamine

C4H11NO2 — CID 87086084

IUPACethane-1,2-diol;ethenamine
SMILESC=CN.OCCO
InChIInChI=1S/C2H5N.C2H6O2/c1-2-3;3-1-2-4/h2H,1,3H2;3-4H,1-2H2
InChIKeyPKCITUSMECTLCX-UHFFFAOYSA-N
MW105.14 g/mol
LogP-0.94
Rot. Bonds1

About ethane-1,2-diol;ethenamine

ethane-1,2-diol;ethenamine (PubChem CID 87086084) has the molecular formula C4H11NO2 and a molecular weight of 105.14 g/mol. Its IUPAC name is ethane-1,2-diol;ethenamine.

Molecular Properties

Compound Nameethane-1,2-diol;ethenamine
PubChem CID87086084
Molecular FormulaC4H11NO2
Molecular Weight105.14 g/mol
Exact Mass105.08
IUPAC Nameethane-1,2-diol;ethenamine
SMILESC=CN.OCCO
InChIInChI=1S/C2H5N.C2H6O2/c1-2-3;3-1-2-4/h2H,1,3H2;3-4H,1-2H2
InChIKeyPKCITUSMECTLCX-UHFFFAOYSA-N
XLogP-0.94
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

buta-1,3-diene;bis(ethane-1,2-diol)
CID 87919637
ethane-1,2-diol;prop-2-en-1-amine
CID 87098276
(112C)ethenamine
CID 173062115
bis(ethane-1,2-diol);ethene;tetrakis(prop-1-ene)
CID 173186866
ethane-1,2-diol;ethene
CID 173008703
ethenamine;dihydrofluoride
CID 173097508
ethenamine;lanthanum
CID 174732370
(ethane-1,2-diol);ethene
CID 173372663
bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene)
CID 173332144
ethane-1,2-diol;ethoxyethane;prop-1-ene
CID 87195266
ethane-1,2-diol;propane-1,3-diol;bis(prop-1-ene)
CID 173377464
N,N-dimethylethenamine;ethane-1,2-diol
CID 88731218

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethenamine?
The IUPAC name of ethane-1,2-diol;ethenamine (CID 87086084) is ethane-1,2-diol;ethenamine.
What is the SMILES notation for ethane-1,2-diol;ethenamine?
The canonical SMILES for ethane-1,2-diol;ethenamine is C=CN.OCCO.
What is the InChIKey of ethane-1,2-diol;ethenamine?
The InChIKey is PKCITUSMECTLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N.C2H6O2/c1-2-3;3-1-2-4/h2H,1,3H2;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;ethenamine?
ethane-1,2-diol;ethenamine has a molecular weight of 105.14 g/mol, XLogP of -0.94, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethenamine is sourced from PubChem (CID 87086084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).