1-[[5-(2-aminoethyl)imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine

C13H24N4 — CID 114721672

IUPAC1-[[5-(2-aminoethyl)imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(Cn2cncc2CCN)CCCC1
InChIInChI=1S/C13H24N4/c1-16(2)13(6-3-4-7-13)10-17-11-15-9-12(17)5-8-14/h9,11H,3-8,10,14H2,1-2H3
InChIKeyHVSANNOHXSTZTJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.26
Rot. Bonds5

About 1-[[5-(2-aminoethyl)imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine

1-[[5-(2-aminoethyl)imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 114721672) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[[5-(2-aminoethyl)imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[[5-(2-aminoethyl)imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID114721672
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[[5-(2-aminoethyl)imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(Cn2cncc2CCN)CCCC1
InChIInChI=1S/C13H24N4/c1-16(2)13(6-3-4-7-13)10-17-11-15-9-12(17)5-8-14/h9,11H,3-8,10,14H2,1-2H3
InChIKeyHVSANNOHXSTZTJ-UHFFFAOYSA-N
XLogP1.26
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-[(1S)-1-aminoethyl]imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine
CID 104943564
1-[[5-[(1R)-1-aminoethyl]imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine
CID 104943565
1-[[5-(2-aminopropan-2-yl)imidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105421223
N-[2-[5-(2-aminoethyl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine
CID 114720542
N,N-dimethyl-1-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]cyclopentan-1-amine
CID 114721676
N,N-dimethyl-1-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 66133760
2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine
CID 114721367
2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine
CID 114722545
2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine
CID 114717344
2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine
CID 114720425
2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine
CID 114718438
2-(3-prop-2-enylimidazol-4-yl)ethanamine
CID 114717587

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-aminoethyl)imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[[5-(2-aminoethyl)imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine (CID 114721672) is 1-[[5-(2-aminoethyl)imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[[5-(2-aminoethyl)imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[[5-(2-aminoethyl)imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine is CN(C)C1(Cn2cncc2CCN)CCCC1.
What is the InChIKey of 1-[[5-(2-aminoethyl)imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is HVSANNOHXSTZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-16(2)13(6-3-4-7-13)10-17-11-15-9-12(17)5-8-14/h9,11H,3-8,10,14H2,1-2H3.
What are the key properties of 1-[[5-(2-aminoethyl)imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine?
1-[[5-(2-aminoethyl)imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-aminoethyl)imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 114721672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).