N,N-bis(2-hydroxyethyl)-3-(prop-2-enylamino)propan-1-amine oxide

C10H22N2O3 — CID 87752767

IUPACN,N-bis(2-hydroxyethyl)-3-(prop-2-enylamino)propan-1-amine oxide
SMILESC=CCNCCC[N+]([O-])(CCO)CCO
InChIInChI=1S/C10H22N2O3/c1-2-4-11-5-3-6-12(15,7-9-13)8-10-14/h2,11,13-14H,1,3-10H2
InChIKeyLUIBEBZVQMRHLE-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.55
Rot. Bonds10

About N,N-bis(2-hydroxyethyl)-3-(prop-2-enylamino)propan-1-amine oxide

N,N-bis(2-hydroxyethyl)-3-(prop-2-enylamino)propan-1-amine oxide (PubChem CID 87752767) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-3-(prop-2-enylamino)propan-1-amine oxide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-3-(prop-2-enylamino)propan-1-amine oxide
PubChem CID87752767
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC NameN,N-bis(2-hydroxyethyl)-3-(prop-2-enylamino)propan-1-amine oxide
SMILESC=CCNCCC[N+]([O-])(CCO)CCO
InChIInChI=1S/C10H22N2O3/c1-2-4-11-5-3-6-12(15,7-9-13)8-10-14/h2,11,13-14H,1,3-10H2
InChIKeyLUIBEBZVQMRHLE-UHFFFAOYSA-N
XLogP-0.55
TPSA75.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-3-(prop-2-enylamino)propan-1-amine oxide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-3-(prop-2-enylamino)propan-1-amine oxide (CID 87752767) is N,N-bis(2-hydroxyethyl)-3-(prop-2-enylamino)propan-1-amine oxide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-3-(prop-2-enylamino)propan-1-amine oxide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-3-(prop-2-enylamino)propan-1-amine oxide is C=CCNCCC[N+]([O-])(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-3-(prop-2-enylamino)propan-1-amine oxide?
The InChIKey is LUIBEBZVQMRHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-2-4-11-5-3-6-12(15,7-9-13)8-10-14/h2,11,13-14H,1,3-10H2.
What are the key properties of N,N-bis(2-hydroxyethyl)-3-(prop-2-enylamino)propan-1-amine oxide?
N,N-bis(2-hydroxyethyl)-3-(prop-2-enylamino)propan-1-amine oxide has a molecular weight of 218.30 g/mol, XLogP of -0.55, 10 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)-3-(prop-2-enylamino)propan-1-amine oxide is sourced from PubChem (CID 87752767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).