1-[[5-(2-aminopropan-2-yl)imidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine

C13H24N4 — CID 105421223

IUPAC1-[[5-(2-aminopropan-2-yl)imidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1(Cn2cncc2C(C)(C)N)CCC1
InChIInChI=1S/C13H24N4/c1-12(2,14)11-8-15-10-17(11)9-13(16(3)4)6-5-7-13/h8,10H,5-7,9,14H2,1-4H3
InChIKeyQPFBAQIENMEPBZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.56
Rot. Bonds4

About 1-[[5-(2-aminopropan-2-yl)imidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[5-(2-aminopropan-2-yl)imidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105421223) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[[5-(2-aminopropan-2-yl)imidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[5-(2-aminopropan-2-yl)imidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105421223
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[[5-(2-aminopropan-2-yl)imidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1(Cn2cncc2C(C)(C)N)CCC1
InChIInChI=1S/C13H24N4/c1-12(2,14)11-8-15-10-17(11)9-13(16(3)4)6-5-7-13/h8,10H,5-7,9,14H2,1-4H3
InChIKeyQPFBAQIENMEPBZ-UHFFFAOYSA-N
XLogP1.56
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-aminopropan-2-yl)imidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[5-(2-aminopropan-2-yl)imidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105421223) is 1-[[5-(2-aminopropan-2-yl)imidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[5-(2-aminopropan-2-yl)imidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[5-(2-aminopropan-2-yl)imidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine is CN(C)C1(Cn2cncc2C(C)(C)N)CCC1.
What is the InChIKey of 1-[[5-(2-aminopropan-2-yl)imidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is QPFBAQIENMEPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-12(2,14)11-8-15-10-17(11)9-13(16(3)4)6-5-7-13/h8,10H,5-7,9,14H2,1-4H3.
What are the key properties of 1-[[5-(2-aminopropan-2-yl)imidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[5-(2-aminopropan-2-yl)imidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-aminopropan-2-yl)imidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105421223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).