N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylcyclobutanamine

C11H20N4 — CID 107501185

IUPACN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylcyclobutanamine
SMILESCN(Cc1cn(CCN)cn1)C1CCC1
InChIInChI=1S/C11H20N4/c1-14(11-3-2-4-11)7-10-8-15(6-5-12)9-13-10/h8-9,11H,2-7,12H2,1H3
InChIKeyLBVMARGTVDERIC-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.83
Rot. Bonds5

About N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylcyclobutanamine

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylcyclobutanamine (PubChem CID 107501185) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylcyclobutanamine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylcyclobutanamine
PubChem CID107501185
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylcyclobutanamine
SMILESCN(Cc1cn(CCN)cn1)C1CCC1
InChIInChI=1S/C11H20N4/c1-14(11-3-2-4-11)7-10-8-15(6-5-12)9-13-10/h8-9,11H,2-7,12H2,1H3
InChIKeyLBVMARGTVDERIC-UHFFFAOYSA-N
XLogP0.83
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 107500803
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylpentan-3-amine
CID 107500690
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-prop-2-enylcyclopropanamine
CID 107501127
1-[[[1-(2-aminoethyl)imidazol-4-yl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 107501221
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-propylpropan-1-amine
CID 107500626
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 107500896
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 107500807
2-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]imidazol-1-yl]ethanamine
CID 107500773
2-[4-[(4-ethylpiperazin-1-yl)methyl]imidazol-1-yl]ethanamine
CID 107500649
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-ethyl-3-fluoroaniline
CID 107500828
2-[4-[(3-methylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine
CID 107500731
[1-(2-piperidin-1-ylethyl)imidazol-4-yl]methanamine
CID 106718060

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylcyclobutanamine?
The IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylcyclobutanamine (CID 107501185) is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylcyclobutanamine.
What is the SMILES notation for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylcyclobutanamine?
The canonical SMILES for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylcyclobutanamine is CN(Cc1cn(CCN)cn1)C1CCC1.
What is the InChIKey of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylcyclobutanamine?
The InChIKey is LBVMARGTVDERIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-14(11-3-2-4-11)7-10-8-15(6-5-12)9-13-10/h8-9,11H,2-7,12H2,1H3.
What are the key properties of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylcyclobutanamine?
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylcyclobutanamine has a molecular weight of 208.31 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylcyclobutanamine is sourced from PubChem (CID 107501185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).