N,N-bis(2-hydroxyethyl)-1-(prop-2-enylamino)propan-1-amine oxide

C10H22N2O3 — CID 87752769

IUPACN,N-bis(2-hydroxyethyl)-1-(prop-2-enylamino)propan-1-amine oxide
SMILESC=CCNC(CC)[N+]([O-])(CCO)CCO
InChIInChI=1S/C10H22N2O3/c1-3-5-11-10(4-2)12(15,6-8-13)7-9-14/h3,10-11,13-14H,1,4-9H2,2H3
InChIKeyZGERWWDVPZFQJK-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.20
Rot. Bonds9

About N,N-bis(2-hydroxyethyl)-1-(prop-2-enylamino)propan-1-amine oxide

N,N-bis(2-hydroxyethyl)-1-(prop-2-enylamino)propan-1-amine oxide (PubChem CID 87752769) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-1-(prop-2-enylamino)propan-1-amine oxide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-1-(prop-2-enylamino)propan-1-amine oxide
PubChem CID87752769
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC NameN,N-bis(2-hydroxyethyl)-1-(prop-2-enylamino)propan-1-amine oxide
SMILESC=CCNC(CC)[N+]([O-])(CCO)CCO
InChIInChI=1S/C10H22N2O3/c1-3-5-11-10(4-2)12(15,6-8-13)7-9-14/h3,10-11,13-14H,1,4-9H2,2H3
InChIKeyZGERWWDVPZFQJK-UHFFFAOYSA-N
XLogP-0.20
TPSA75.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-[1-[Bis(prop-2-enyl)amino]propylamino]ethanol
CID 23342203
2-Hydroxyethyl-methyl-bis[1-(prop-2-enylamino)ethyl]azanium;methyl sulfate
CID 87065196
2-Hydroxyethyl-methyl-bis[1-(prop-2-enylamino)ethyl]azanium
CID 87065197
2-[2,2-Bis(prop-2-enylamino)ethyl-methylamino]ethanol
CID 87572087
N,N-bis(2-hydroxyethyl)-3-(prop-2-enylamino)propan-1-amine oxide
CID 87752767
(2S)-1,1-bis(prop-2-enylamino)propan-2-ol
CID 88326325
2-[1-(Prop-2-enylamino)propylamino]ethanol
CID 88814012
1,1-Bis(prop-2-enylamino)propan-2-ol
CID 88814585
2-[[(Z)-3-amino-1-(methylamino)prop-2-enyl]-ethylamino]ethanol
CID 90451886
2-[1-(Prop-2-enylamino)propylamino]ethane-1,1-diol
CID 88010750
1-Hydroxyethyl-dimethyl-[1-(prop-2-enylamino)ethyl]azanium
CID 88626983
1-Ethyl-1-(2-hydroxyethyl)-3-prop-2-enylurea
CID 108486694

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-1-(prop-2-enylamino)propan-1-amine oxide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-1-(prop-2-enylamino)propan-1-amine oxide (CID 87752769) is N,N-bis(2-hydroxyethyl)-1-(prop-2-enylamino)propan-1-amine oxide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-1-(prop-2-enylamino)propan-1-amine oxide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-1-(prop-2-enylamino)propan-1-amine oxide is C=CCNC(CC)[N+]([O-])(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-1-(prop-2-enylamino)propan-1-amine oxide?
The InChIKey is ZGERWWDVPZFQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-3-5-11-10(4-2)12(15,6-8-13)7-9-14/h3,10-11,13-14H,1,4-9H2,2H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-1-(prop-2-enylamino)propan-1-amine oxide?
N,N-bis(2-hydroxyethyl)-1-(prop-2-enylamino)propan-1-amine oxide has a molecular weight of 218.30 g/mol, XLogP of -0.20, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-1-(prop-2-enylamino)propan-1-amine oxide is sourced from PubChem (CID 87752769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).