N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine

C9H15N3 — CID 62415731

IUPACN-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
SMILESCn1ccnc1CNC1CCC1
InChIInChI=1S/C9H15N3/c1-12-6-5-10-9(12)7-11-8-3-2-4-8/h5-6,8,11H,2-4,7H2,1H3
InChIKeyKCLRYVHEQBFJIM-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.06
Rot. Bonds3

About N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine

N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine (PubChem CID 62415731) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
PubChem CID62415731
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
SMILESCn1ccnc1CNC1CCC1
InChIInChI=1S/C9H15N3/c1-12-6-5-10-9(12)7-11-8-3-2-4-8/h5-6,8,11H,2-4,7H2,1H3
InChIKeyKCLRYVHEQBFJIM-UHFFFAOYSA-N
XLogP1.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 65080394
4-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61470208
N-[(1-methylimidazol-2-yl)methyl]thian-3-amine
CID 63292249
1-tert-butyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-4-amine
CID 62351182
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 43088207
N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103701192
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
3-ethoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 112553123
2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61466819
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 78928226
N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60695151
(1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81386227

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine (CID 62415731) is N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine is Cn1ccnc1CNC1CCC1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine?
The InChIKey is KCLRYVHEQBFJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-12-6-5-10-9(12)7-11-8-3-2-4-8/h5-6,8,11H,2-4,7H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine?
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine has a molecular weight of 165.24 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine is sourced from PubChem (CID 62415731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).