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

C12H26N2O2 — CID 103071271

IUPAC2-[2-methoxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
SMILESC=C(CNCCC)CN(CCO)CCOC
InChIInChI=1S/C12H26N2O2/c1-4-5-13-10-12(2)11-14(6-8-15)7-9-16-3/h13,15H,2,4-11H2,1,3H3
InChIKeyTWVUGIRZTKDSOL-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.48
Rot. Bonds11

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

2-[2-methoxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol (PubChem CID 103071271) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-methoxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
PubChem CID103071271
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-[2-methoxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
SMILESC=C(CNCCC)CN(CCO)CCOC
InChIInChI=1S/C12H26N2O2/c1-4-5-13-10-12(2)11-14(6-8-15)7-9-16-3/h13,15H,2,4-11H2,1,3H3
InChIKeyTWVUGIRZTKDSOL-UHFFFAOYSA-N
XLogP0.48
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.48
H-Bond Donors ≤ 52
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-[2,2-Difluoroethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 107484773
2-[2,2-Difluoroethyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
CID 107484785
2-[2-(Ethylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484808
2-[2-(Propylaminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 113964967
2-[2-Methoxyethyl-[3-(methylamino)propyl]amino]ethanol
CID 89603330
2-[2-(2-Methylprop-2-enylamino)ethylamino]ethanol
CID 126536249
N,N'-bis(2-ethenoxyethyl)-2-methylidenepropane-1,3-diamine
CID 129257616
2-(methylamino)ethanol;N-methylpropan-1-amine;2-methylprop-1-ene
CID 142048296
Ethane;2-[2-methoxyethyl(2-methylprop-2-enyl)amino]ethanol
CID 142314187
1-[2-(2-Aminoethoxy)ethylamino]-2-methylprop-2-en-1-ol
CID 145112170
2-[2-(2-Methylprop-2-enylamino)ethoxy]ethanol
CID 60689343
N'-(2-methoxyethyl)-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 62842916

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol?
The IUPAC name of 2-[2-methoxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol (CID 103071271) is 2-[2-methoxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[2-methoxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol?
The canonical SMILES for 2-[2-methoxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol is C=C(CNCCC)CN(CCO)CCOC.
What is the InChIKey of 2-[2-methoxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol?
The InChIKey is TWVUGIRZTKDSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-5-13-10-12(2)11-14(6-8-15)7-9-16-3/h13,15H,2,4-11H2,1,3H3.
What are the key properties of 2-[2-methoxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol?
2-[2-methoxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol has a molecular weight of 230.35 g/mol, XLogP of 0.48, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol is sourced from PubChem (CID 103071271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).