2-[2-[(cyclopropylamino)methyl]prop-2-enyl-ethylamino]ethanol

C11H22N2O — CID 103069514

IUPAC2-[2-[(cyclopropylamino)methyl]prop-2-enyl-ethylamino]ethanol
SMILESC=C(CNC1CC1)CN(CC)CCO
InChIInChI=1S/C11H22N2O/c1-3-13(6-7-14)9-10(2)8-12-11-4-5-11/h11-12,14H,2-9H2,1H3
InChIKeyMNGALKFOBMPNEJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.61
Rot. Bonds8

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

2-[2-[(cyclopropylamino)methyl]prop-2-enyl-ethylamino]ethanol (PubChem CID 103069514) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]prop-2-enyl-ethylamino]ethanol
PubChem CID103069514
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[2-[(cyclopropylamino)methyl]prop-2-enyl-ethylamino]ethanol
SMILESC=C(CNC1CC1)CN(CC)CCO
InChIInChI=1S/C11H22N2O/c1-3-13(6-7-14)9-10(2)8-12-11-4-5-11/h11-12,14H,2-9H2,1H3
InChIKeyMNGALKFOBMPNEJ-UHFFFAOYSA-N
XLogP0.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(Tert-butylamino)methyl]prop-2-enyl-(2,2-difluoroethyl)amino]ethanol
CID 107484771
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-[(Tert-butylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484795
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-(2-Methylprop-2-enylamino)butan-1-ol
CID 60686994
2-[Cyclopropyl-[3-(methylamino)propyl]amino]ethanol
CID 61579165
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(methyl)amino]propylamino]ethanol
CID 149151318
1-[Bis(prop-2-enyl)amino]-3-(cyclopropylamino)propan-2-ol
CID 54773232

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-ethylamino]ethanol?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-ethylamino]ethanol (CID 103069514) is 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-ethylamino]ethanol.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-ethylamino]ethanol?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-ethylamino]ethanol is C=C(CNC1CC1)CN(CC)CCO.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-ethylamino]ethanol?
The InChIKey is MNGALKFOBMPNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-13(6-7-14)9-10(2)8-12-11-4-5-11/h11-12,14H,2-9H2,1H3.
What are the key properties of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-ethylamino]ethanol?
2-[2-[(cyclopropylamino)methyl]prop-2-enyl-ethylamino]ethanol has a molecular weight of 198.31 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-ethylamino]ethanol is sourced from PubChem (CID 103069514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).