N-methyl-9-(1-methylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine

C13H22N4 — CID 62712206

IUPACN-methyl-9-(1-methylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2c1cnn(C)c1
InChIInChI=1S/C13H22N4/c1-14-10-6-11-4-3-5-12(7-10)17(11)13-8-15-16(2)9-13/h8-12,14H,3-7H2,1-2H3
InChIKeyQLFODOONLZGEAK-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.53
Rot. Bonds2

About N-methyl-9-(1-methylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine

N-methyl-9-(1-methylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62712206) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-methyl-9-(1-methylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-methyl-9-(1-methylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62712206
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-methyl-9-(1-methylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2c1cnn(C)c1
InChIInChI=1S/C13H22N4/c1-14-10-6-11-4-3-5-12(7-10)17(11)13-8-15-16(2)9-13/h8-12,14H,3-7H2,1-2H3
InChIKeyQLFODOONLZGEAK-UHFFFAOYSA-N
XLogP1.53
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-9-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106031
N-methyl-9-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62812956
8-(1-methylpyrazol-4-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62739615
N-methyl-9-(4-propylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714345
9-(3-chloro-4-methylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713614
8-(4-bromophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739801
8-(4-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106091
9-(3-methoxyphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106268
N-methyl-9-(3-methylsulfanylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714507
8-(3,4-dichlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738935
9-(2,6-dimethylphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713430
N-methyl-9-(2-propan-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712367

Frequently Asked Questions

What is the IUPAC name of N-methyl-9-(1-methylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-methyl-9-(1-methylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 62712206) is N-methyl-9-(1-methylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-methyl-9-(1-methylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-methyl-9-(1-methylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine is CNC1CC2CCCC(C1)N2c1cnn(C)c1.
What is the InChIKey of N-methyl-9-(1-methylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is QLFODOONLZGEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-14-10-6-11-4-3-5-12(7-10)17(11)13-8-15-16(2)9-13/h8-12,14H,3-7H2,1-2H3.
What are the key properties of N-methyl-9-(1-methylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
N-methyl-9-(1-methylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 234.35 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-(1-methylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62712206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).