2-[2-hydroxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol

C11H24N2O2 — CID 103069561

IUPAC2-[2-hydroxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
SMILESC=C(CNCCC)CN(CCO)CCO
InChIInChI=1S/C11H24N2O2/c1-3-4-12-9-11(2)10-13(5-7-14)6-8-15/h12,14-15H,2-10H2,1H3
InChIKeyYPVSWPHOKGOCPB-UHFFFAOYSA-N
MW216.32 g/mol
LogP-0.17
Rot. Bonds10

About 2-[2-hydroxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol

2-[2-hydroxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol (PubChem CID 103069561) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
PubChem CID103069561
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-[2-hydroxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
SMILESC=C(CNCCC)CN(CCO)CCO
InChIInChI=1S/C11H24N2O2/c1-3-4-12-9-11(2)10-13(5-7-14)6-8-15/h12,14-15H,2-10H2,1H3
InChIKeyYPVSWPHOKGOCPB-UHFFFAOYSA-N
XLogP-0.17
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 5-0.17
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'}

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Related Compounds

2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069520
2-[butyl-[2-[(tert-butylamino)methyl]prop-2-enyl]amino]ethanol
CID 103069826
2-[2-(ethylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484808
2-[propyl-[3-(propylamino)propyl]amino]ethanol
CID 61424800
2-[ethyl-[3-(propylamino)propyl]amino]ethanol
CID 61387164
3-[ethyl-[2-(propylaminomethyl)prop-2-enyl]amino]-2-methylpropanenitrile
CID 103069947
1-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]propan-2-ol
CID 103070338
2-[bis(2-hydroxyethyl)amino]-N-propylacetamide
CID 60686308
N,N-dibutyl-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103069188
N-methyl-2-methylidene-N-(2-propan-2-yloxyethyl)-N'-propylpropane-1,3-diamine
CID 103071074
N,N-dicyclohexyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103069022
2-[2-methoxyethyl(2-methylidenebutyl)amino]ethanol
CID 115897951

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol (CID 103069561) is 2-[2-hydroxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol is C=C(CNCCC)CN(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol?
The InChIKey is YPVSWPHOKGOCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-4-12-9-11(2)10-13(5-7-14)6-8-15/h12,14-15H,2-10H2,1H3.
What are the key properties of 2-[2-hydroxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol?
2-[2-hydroxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol has a molecular weight of 216.32 g/mol, XLogP of -0.17, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol is sourced from PubChem (CID 103069561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).