2-cyclobutyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine

C12H21N3 — CID 115768183

IUPAC2-cyclobutyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nn(C)cc1CNCCC1CCC1
InChIInChI=1S/C12H21N3/c1-10-12(9-15(2)14-10)8-13-7-6-11-4-3-5-11/h9,11,13H,3-8H2,1-2H3
InChIKeyHJJLHNSWECJZJY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.01
Rot. Bonds5

About 2-cyclobutyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine

2-cyclobutyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 115768183) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-cyclobutyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID115768183
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-cyclobutyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nn(C)cc1CNCCC1CCC1
InChIInChI=1S/C12H21N3/c1-10-12(9-15(2)14-10)8-13-7-6-11-4-3-5-11/h9,11,13H,3-8H2,1-2H3
InChIKeyHJJLHNSWECJZJY-UHFFFAOYSA-N
XLogP2.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107416867
N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine
CID 102801492
N-cyclopentyloxy-1-(1,3-dimethylpyrazol-4-yl)methanamine
CID 83229847
N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine
CID 83089811
3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanenitrile
CID 83085525
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine
CID 112668528
tert-butyl 3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103851501
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetonitrile
CID 112669035
4-[(1,3-dimethylpyrazol-4-yl)methylamino]butanoic acid
CID 83088801
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 126964368
3-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-propan-2-ylpropanamide
CID 112705218

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-cyclobutyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine (CID 115768183) is 2-cyclobutyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-cyclobutyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine is Cc1nn(C)cc1CNCCC1CCC1.
What is the InChIKey of 2-cyclobutyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is HJJLHNSWECJZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10-12(9-15(2)14-10)8-13-7-6-11-4-3-5-11/h9,11,13H,3-8H2,1-2H3.
What are the key properties of 2-cyclobutyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
2-cyclobutyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 115768183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).