N-methyl-8-[(2-methylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C13H22N4 — CID 55204218

IUPACN-methyl-8-[(2-methylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2Cc1ccnn1C
InChIInChI=1S/C13H22N4/c1-14-10-7-11-3-4-12(8-10)17(11)9-13-5-6-15-16(13)2/h5-6,10-12,14H,3-4,7-9H2,1-2H3
InChIKeyOIMQNJNDMJSBMD-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.13
Rot. Bonds3

About N-methyl-8-[(2-methylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-8-[(2-methylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 55204218) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-methyl-8-[(2-methylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-8-[(2-methylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID55204218
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-methyl-8-[(2-methylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2Cc1ccnn1C
InChIInChI=1S/C13H22N4/c1-14-10-7-11-3-4-12(8-10)17(11)9-13-5-6-15-16(13)2/h5-6,10-12,14H,3-4,7-9H2,1-2H3
InChIKeyOIMQNJNDMJSBMD-UHFFFAOYSA-N
XLogP1.13
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 103011730
9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 63302875
N-methyl-8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 79238616
N-methyl-8-[(6-methyl-3-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62992548
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 43747132
N-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740307
N-methyl-9-[(1-methylimidazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 63293406
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]imidazol-2-amine
CID 106573717
1-[4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 122360340
N-methyl-8-[2-(1,2,4-oxadiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 106408102
8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55107251
1-methyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 43663386

Frequently Asked Questions

What is the IUPAC name of N-methyl-8-[(2-methylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-8-[(2-methylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 55204218) is N-methyl-8-[(2-methylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-8-[(2-methylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-8-[(2-methylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2Cc1ccnn1C.
What is the InChIKey of N-methyl-8-[(2-methylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is OIMQNJNDMJSBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-14-10-7-11-3-4-12(8-10)17(11)9-13-5-6-15-16(13)2/h5-6,10-12,14H,3-4,7-9H2,1-2H3.
What are the key properties of N-methyl-8-[(2-methylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-8-[(2-methylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 234.35 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-[(2-methylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 55204218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).