N-[[3-(3-ethoxycyclobutyl)imidazol-4-yl]methyl]cyclopropanamine

C13H21N3O — CID 114120632

IUPACN-[[3-(3-ethoxycyclobutyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESCCOC1CC(n2cncc2CNC2CC2)C1
InChIInChI=1S/C13H21N3O/c1-2-17-13-5-11(6-13)16-9-14-7-12(16)8-15-10-3-4-10/h7,9-11,13,15H,2-6,8H2,1H3
InChIKeyWRJJFLJIXAELMB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.88
Rot. Bonds6

About N-[[3-(3-ethoxycyclobutyl)imidazol-4-yl]methyl]cyclopropanamine

N-[[3-(3-ethoxycyclobutyl)imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 114120632) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[3-(3-ethoxycyclobutyl)imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-ethoxycyclobutyl)imidazol-4-yl]methyl]cyclopropanamine
PubChem CID114120632
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[[3-(3-ethoxycyclobutyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESCCOC1CC(n2cncc2CNC2CC2)C1
InChIInChI=1S/C13H21N3O/c1-2-17-13-5-11(6-13)16-9-14-7-12(16)8-15-10-3-4-10/h7,9-11,13,15H,2-6,8H2,1H3
InChIKeyWRJJFLJIXAELMB-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methoxycyclopentan-1-amine
CID 114117964
N-[(3-cyclopropylimidazol-4-yl)methyl]cyclopentanamine
CID 66163863
N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 66164278
N-[(3-cyclopropylimidazol-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 66139617
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-methylcyclohexan-1-amine
CID 66164873
1-[4-[(3-cyclopropylimidazol-4-yl)methylamino]piperidin-1-yl]ethanone
CID 66161737
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpyrrolidin-3-amine
CID 66140196
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 114114899
N-[[1-(3-ethoxycyclobutyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 114120260
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 66162681
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethylpiperidin-3-amine
CID 66162353
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methylpiperidin-3-amine
CID 66164730

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-ethoxycyclobutyl)imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-ethoxycyclobutyl)imidazol-4-yl]methyl]cyclopropanamine (CID 114120632) is N-[[3-(3-ethoxycyclobutyl)imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-ethoxycyclobutyl)imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-ethoxycyclobutyl)imidazol-4-yl]methyl]cyclopropanamine is CCOC1CC(n2cncc2CNC2CC2)C1.
What is the InChIKey of N-[[3-(3-ethoxycyclobutyl)imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is WRJJFLJIXAELMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-17-13-5-11(6-13)16-9-14-7-12(16)8-15-10-3-4-10/h7,9-11,13,15H,2-6,8H2,1H3.
What are the key properties of N-[[3-(3-ethoxycyclobutyl)imidazol-4-yl]methyl]cyclopropanamine?
N-[[3-(3-ethoxycyclobutyl)imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 235.33 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-ethoxycyclobutyl)imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114120632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).