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

C12H24N2O — CID 103069702

IUPAC2-[2-[(cyclopropylamino)methyl]prop-2-enyl-propylamino]ethanol
SMILESC=C(CNC1CC1)CN(CCC)CCO
InChIInChI=1S/C12H24N2O/c1-3-6-14(7-8-15)10-11(2)9-13-12-4-5-12/h12-13,15H,2-10H2,1H3
InChIKeyPFAWNLHMAWCCOO-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.00
Rot. Bonds9

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

2-[2-[(cyclopropylamino)methyl]prop-2-enyl-propylamino]ethanol (PubChem CID 103069702) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]prop-2-enyl-propylamino]ethanol
PubChem CID103069702
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-[2-[(cyclopropylamino)methyl]prop-2-enyl-propylamino]ethanol
SMILESC=C(CNC1CC1)CN(CCC)CCO
InChIInChI=1S/C12H24N2O/c1-3-6-14(7-8-15)10-11(2)9-13-12-4-5-12/h12-13,15H,2-10H2,1H3
InChIKeyPFAWNLHMAWCCOO-UHFFFAOYSA-N
XLogP1.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.00
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-propylamino]ethanol?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-propylamino]ethanol (CID 103069702) is 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-propylamino]ethanol.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-propylamino]ethanol?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-propylamino]ethanol is C=C(CNC1CC1)CN(CCC)CCO.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-propylamino]ethanol?
The InChIKey is PFAWNLHMAWCCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-6-14(7-8-15)10-11(2)9-13-12-4-5-12/h12-13,15H,2-10H2,1H3.
What are the key properties of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-propylamino]ethanol?
2-[2-[(cyclopropylamino)methyl]prop-2-enyl-propylamino]ethanol has a molecular weight of 212.34 g/mol, XLogP of 1.00, 9 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-propylamino]ethanol is sourced from PubChem (CID 103069702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).