1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine

C11H20N4 — CID 79521086

IUPAC1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
SMILESCN(Cc1cnn(C)c1)C1(CN)CCC1
InChIInChI=1S/C11H20N4/c1-14(11(9-12)4-3-5-11)7-10-6-13-15(2)8-10/h6,8H,3-5,7,9,12H2,1-2H3
InChIKeyPMLRPGJXXHYFRM-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.73
Rot. Bonds4

About 1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine

1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine (PubChem CID 79521086) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
PubChem CID79521086
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
SMILESCN(Cc1cnn(C)c1)C1(CN)CCC1
InChIInChI=1S/C11H20N4/c1-14(11(9-12)4-3-5-11)7-10-6-13-15(2)8-10/h6,8H,3-5,7,9,12H2,1-2H3
InChIKeyPMLRPGJXXHYFRM-UHFFFAOYSA-N
XLogP0.73
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
CID 61438543
1-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 61438311
3-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thian-3-amine
CID 79952313
1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylcyclohexan-1-amine
CID 62125809
1-(aminomethyl)-N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62128099
1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 28798848
methyl 1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexane-1-carboxylate
CID 75433750
[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 61438389
[1-[(1-methylpyrazol-4-yl)methoxy]cycloheptyl]methanamine
CID 65051805
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 62461742
[1-[2-(1-methylpyrazol-4-yl)ethoxy]cyclopentyl]methanamine
CID 102999284
N,N,3-trimethyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 61212484

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine (CID 79521086) is 1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine is CN(Cc1cnn(C)c1)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine?
The InChIKey is PMLRPGJXXHYFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-14(11(9-12)4-3-5-11)7-10-6-13-15(2)8-10/h6,8H,3-5,7,9,12H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine?
1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 79521086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).