N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine

C12H21N3O — CID 106719730

IUPACN-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESCCCOCCn1cnc(CNC2CC2)c1
InChIInChI=1S/C12H21N3O/c1-2-6-16-7-5-15-9-12(14-10-15)8-13-11-3-4-11/h9-11,13H,2-8H2,1H3
InChIKeyCYFTVVYBNVLRPU-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.56
Rot. Bonds8

About N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine

N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 106719730) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine
PubChem CID106719730
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESCCCOCCn1cnc(CNC2CC2)c1
InChIInChI=1S/C12H21N3O/c1-2-6-16-7-5-15-9-12(14-10-15)8-13-11-3-4-11/h9-11,13H,2-8H2,1H3
InChIKeyCYFTVVYBNVLRPU-UHFFFAOYSA-N
XLogP1.56
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719368
N-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine
CID 117191740
N-[[1-(2-propoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 106458377
N-[[1-(2-methylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719854
N-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719755
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3-methylcyclopentan-1-amine
CID 107501214
N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719864
N-[[1-(2,2,2-trifluoroethoxymethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719983
2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 114204437
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719837
1-[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
CID 106718210
N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719791

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine (CID 106719730) is N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine is CCCOCCn1cnc(CNC2CC2)c1.
What is the InChIKey of N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is CYFTVVYBNVLRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-6-16-7-5-15-9-12(14-10-15)8-13-11-3-4-11/h9-11,13H,2-8H2,1H3.
What are the key properties of N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine?
N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 223.32 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106719730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).