1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]propan-2-ol

C11H22N2O — CID 103070339

IUPAC1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]propan-2-ol
SMILESC=C(CNC1CC1)CN(C)CC(C)O
InChIInChI=1S/C11H22N2O/c1-9(6-12-11-4-5-11)7-13(3)8-10(2)14/h10-12,14H,1,4-8H2,2-3H3
InChIKeyRGYZNIBASBEHMY-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.61
Rot. Bonds7

About 1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]propan-2-ol

1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]propan-2-ol (PubChem CID 103070339) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]propan-2-ol
PubChem CID103070339
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]propan-2-ol
SMILESC=C(CNC1CC1)CN(C)CC(C)O
InChIInChI=1S/C11H22N2O/c1-9(6-12-11-4-5-11)7-13(3)8-10(2)14/h10-12,14H,1,4-8H2,2-3H3
InChIKeyRGYZNIBASBEHMY-UHFFFAOYSA-N
XLogP0.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

(3S)-1,5-ditert-butyl-7-methylidene-1,5-diazocan-1-ium-3-ol iodide
CID 139065050
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-[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
[3-[Dimethyl-[3-(2-methylprop-2-enylamino)propyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium dichloride
CID 137359778
1-[Cyclopropyl-[3-(methylamino)propyl]amino]propan-2-ol
CID 149151308
1-[3-[Cyclopropyl(methyl)amino]propylamino]propan-2-ol
CID 149151317
1-(Cyclopropylamino)-3-(diethylamino)propan-2-ol
CID 43090761
1-(Cyclopropylamino)-3-(dipropylamino)propan-2-ol
CID 43165760

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]propan-2-ol?
The IUPAC name of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]propan-2-ol (CID 103070339) is 1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]propan-2-ol is C=C(CNC1CC1)CN(C)CC(C)O.
What is the InChIKey of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]propan-2-ol?
The InChIKey is RGYZNIBASBEHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(6-12-11-4-5-11)7-13(3)8-10(2)14/h10-12,14H,1,4-8H2,2-3H3.
What are the key properties of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]propan-2-ol?
1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]propan-2-ol has a molecular weight of 198.31 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]propan-2-ol is sourced from PubChem (CID 103070339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).