N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine

C13H21N3O — CID 65162327

IUPACN-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine
SMILESc1cn(CCC2CCCO2)c(CNC2CC2)n1
InChIInChI=1S/C13H21N3O/c1-2-12(17-9-1)5-7-16-8-6-14-13(16)10-15-11-3-4-11/h6,8,11-12,15H,1-5,7,9-10H2
InChIKeyJXWFMVIITOTKDX-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.70
Rot. Bonds6

About N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine

N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine (PubChem CID 65162327) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine
PubChem CID65162327
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine
SMILESc1cn(CCC2CCCO2)c(CNC2CC2)n1
InChIInChI=1S/C13H21N3O/c1-2-12(17-9-1)5-7-16-8-6-14-13(16)10-15-11-3-4-11/h6,8,11-12,15H,1-5,7,9-10H2
InChIKeyJXWFMVIITOTKDX-UHFFFAOYSA-N
XLogP1.70
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[3-(oxolan-2-yl)propyl]imidazol-2-yl]methyl]cyclopropanamine
CID 65162326
N-cyclopropyl-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106567497
N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
CID 62957533
N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine
CID 62223232
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 112591061
N-[[1-[2-(oxolan-2-yl)ethyl]indol-6-yl]methyl]cyclopropanamine
CID 65165692
N-cyclopropyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560113
N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine
CID 46784421
N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine
CID 55048995
N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61039260
N-cyclopropyl-3-[2-[(cyclopropylamino)methyl]imidazol-1-yl]propanamide
CID 55098061
N-[[1-(oxolan-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 66401412

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine (CID 65162327) is N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine is c1cn(CCC2CCCO2)c(CNC2CC2)n1.
What is the InChIKey of N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine?
The InChIKey is JXWFMVIITOTKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-12(17-9-1)5-7-16-8-6-14-13(16)10-15-11-3-4-11/h6,8,11-12,15H,1-5,7,9-10H2.
What are the key properties of N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine?
N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine has a molecular weight of 235.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65162327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).