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

C10H20N2O — CID 103069521

IUPAC2-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]ethanol
SMILESC=C(CNC1CC1)CN(C)CCO
InChIInChI=1S/C10H20N2O/c1-9(7-11-10-3-4-10)8-12(2)5-6-13/h10-11,13H,1,3-8H2,2H3
InChIKeyYKYXKFCIVZFXNP-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.22
Rot. Bonds7

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

2-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]ethanol (PubChem CID 103069521) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]ethanol
PubChem CID103069521
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]ethanol
SMILESC=C(CNC1CC1)CN(C)CCO
InChIInChI=1S/C10H20N2O/c1-9(7-11-10-3-4-10)8-12(2)5-6-13/h10-11,13H,1,3-8H2,2H3
InChIKeyYKYXKFCIVZFXNP-UHFFFAOYSA-N
XLogP0.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.22
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-methylamino]ethanol?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]ethanol (CID 103069521) is 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]ethanol.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]ethanol?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]ethanol is C=C(CNC1CC1)CN(C)CCO.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]ethanol?
The InChIKey is YKYXKFCIVZFXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(7-11-10-3-4-10)8-12(2)5-6-13/h10-11,13H,1,3-8H2,2H3.
What are the key properties of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]ethanol?
2-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]ethanol has a molecular weight of 184.28 g/mol, XLogP of 0.22, 7 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-methylamino]ethanol is sourced from PubChem (CID 103069521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).