2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-hydroxyethyl)amino]ethanol

C11H22N2O2 — CID 103069562

IUPAC2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-hydroxyethyl)amino]ethanol
SMILESC=C(CNC1CC1)CN(CCO)CCO
InChIInChI=1S/C11H22N2O2/c1-10(8-12-11-2-3-11)9-13(4-6-14)5-7-15/h11-12,14-15H,1-9H2
InChIKeyBCVLROSUYBUHGR-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.42
Rot. Bonds9

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

2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 103069562) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-hydroxyethyl)amino]ethanol
PubChem CID103069562
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-hydroxyethyl)amino]ethanol
SMILESC=C(CNC1CC1)CN(CCO)CCO
InChIInChI=1S/C11H22N2O2/c1-10(8-12-11-2-3-11)9-13(4-6-14)5-7-15/h11-12,14-15H,1-9H2
InChIKeyBCVLROSUYBUHGR-UHFFFAOYSA-N
XLogP-0.42
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2,2-Difluoroethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol
CID 107484777
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl-(2,2-difluoroethyl)amino]ethanol
CID 107484783
2-[2-[(Propan-2-ylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484800
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484806
2-[3-(Cyclopropylamino)propyl-(2-hydroxyethyl)amino]ethanol
CID 61387108
2-[2-Methylprop-2-enyl-[2-(propan-2-ylamino)ethyl]amino]ethanol
CID 122519044
2-Hydroxyethyl-methyl-(2-methylprop-2-enyl)-[2-(propan-2-ylamino)ethyl]azanium
CID 122519049
2-[3-[Cyclopropyl(2-hydroxyethyl)amino]propylamino]ethanol
CID 149151320
1-[Bis(prop-2-enyl)amino]-3-(cyclopropylamino)propan-2-ol
CID 54773232
2-[Ethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069508
2-[Ethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol
CID 103069509
2-[Ethyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069510

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-hydroxyethyl)amino]ethanol (CID 103069562) is 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-hydroxyethyl)amino]ethanol is C=C(CNC1CC1)CN(CCO)CCO.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is BCVLROSUYBUHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(8-12-11-2-3-11)9-13(4-6-14)5-7-15/h11-12,14-15H,1-9H2.
What are the key properties of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-hydroxyethyl)amino]ethanol?
2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 214.31 g/mol, XLogP of -0.42, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 103069562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).