N-[[2-(4,5-dimethylimidazol-1-yl)cyclobutyl]methyl]cyclopropanamine

C13H21N3 — CID 81004556

IUPACN-[[2-(4,5-dimethylimidazol-1-yl)cyclobutyl]methyl]cyclopropanamine
SMILESCc1ncn(C2CCC2CNC2CC2)c1C
InChIInChI=1S/C13H21N3/c1-9-10(2)16(8-15-9)13-6-3-11(13)7-14-12-4-5-12/h8,11-14H,3-7H2,1-2H3
InChIKeyVQPJTKHSQFZPRS-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.20
Rot. Bonds4

About N-[[2-(4,5-dimethylimidazol-1-yl)cyclobutyl]methyl]cyclopropanamine

N-[[2-(4,5-dimethylimidazol-1-yl)cyclobutyl]methyl]cyclopropanamine (PubChem CID 81004556) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[[2-(4,5-dimethylimidazol-1-yl)cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4,5-dimethylimidazol-1-yl)cyclobutyl]methyl]cyclopropanamine
PubChem CID81004556
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[[2-(4,5-dimethylimidazol-1-yl)cyclobutyl]methyl]cyclopropanamine
SMILESCc1ncn(C2CCC2CNC2CC2)c1C
InChIInChI=1S/C13H21N3/c1-9-10(2)16(8-15-9)13-6-3-11(13)7-14-12-4-5-12/h8,11-14H,3-7H2,1-2H3
InChIKeyVQPJTKHSQFZPRS-UHFFFAOYSA-N
XLogP2.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4,5-dimethylimidazol-1-yl)cyclopentyl]methanamine
CID 62351594
N-[[2-(4-methylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine
CID 81004642
3-(4,5-dimethylimidazol-1-yl)-N-propylcyclopentan-1-amine
CID 79642762
[4-tert-butyl-2-(4,5-dimethylimidazol-1-yl)cyclohexyl]methanamine
CID 62351078
2-(4,5-dimethylimidazol-1-yl)-N-ethyl-4-methylcyclohexan-1-amine
CID 62351091
N-[[2-(3,5-diethylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine
CID 82693803
2-(4,5-dimethylimidazol-1-yl)cyclobutane-1-carboxylic acid
CID 80995950
2-(4,5-dimethylimidazol-1-yl)-4-methylcyclohexan-1-ol
CID 62350080
N-[[2-(1-methylpyrazol-3-yl)cyclobutyl]methyl]cyclopropanamine
CID 103132567
N-[[2-(4-methylpiperidin-1-yl)cyclobutyl]methyl]cyclopropanamine
CID 80999601
2-(4,5-dimethylimidazol-1-yl)-N-methyl-4-propylcyclohexan-1-amine
CID 55064782
N-[[4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62351103

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4,5-dimethylimidazol-1-yl)cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4,5-dimethylimidazol-1-yl)cyclobutyl]methyl]cyclopropanamine (CID 81004556) is N-[[2-(4,5-dimethylimidazol-1-yl)cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4,5-dimethylimidazol-1-yl)cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4,5-dimethylimidazol-1-yl)cyclobutyl]methyl]cyclopropanamine is Cc1ncn(C2CCC2CNC2CC2)c1C.
What is the InChIKey of N-[[2-(4,5-dimethylimidazol-1-yl)cyclobutyl]methyl]cyclopropanamine?
The InChIKey is VQPJTKHSQFZPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-10(2)16(8-15-9)13-6-3-11(13)7-14-12-4-5-12/h8,11-14H,3-7H2,1-2H3.
What are the key properties of N-[[2-(4,5-dimethylimidazol-1-yl)cyclobutyl]methyl]cyclopropanamine?
N-[[2-(4,5-dimethylimidazol-1-yl)cyclobutyl]methyl]cyclopropanamine has a molecular weight of 219.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4,5-dimethylimidazol-1-yl)cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 81004556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).