N-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine

C15H26N4 — CID 103011730

IUPACN-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2CCc1ccnn1C
InChIInChI=1S/C15H26N4/c1-16-12-10-14-4-3-5-15(11-12)19(14)9-7-13-6-8-17-18(13)2/h6,8,12,14-16H,3-5,7,9-11H2,1-2H3
InChIKeyLHQKLBQWTGUCDT-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.57
Rot. Bonds4

About N-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine

N-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 103011730) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID103011730
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2CCc1ccnn1C
InChIInChI=1S/C15H26N4/c1-16-12-10-14-4-3-5-15(11-12)19(14)9-7-13-6-8-17-18(13)2/h6,8,12,14-16H,3-5,7,9-11H2,1-2H3
InChIKeyLHQKLBQWTGUCDT-UHFFFAOYSA-N
XLogP1.57
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-8-[(2-methylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55204218
N-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105936
9-[(2-methylpyrazol-3-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 63302875
N-methyl-9-[2-(1-methylimidazol-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106274
9-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 106039656
N-methyl-2-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 103004400
5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole
CID 103013956
8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55107251
1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010387
N-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740307
N-methyl-9-(3-morpholin-4-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712744
N-methyl-9-[(1-methylimidazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 63293406

Frequently Asked Questions

What is the IUPAC name of N-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine (CID 103011730) is N-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine is CNC1CC2CCCC(C1)N2CCc1ccnn1C.
What is the InChIKey of N-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is LHQKLBQWTGUCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-16-12-10-14-4-3-5-15(11-12)19(14)9-7-13-6-8-17-18(13)2/h6,8,12,14-16H,3-5,7,9-11H2,1-2H3.
What are the key properties of N-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine?
N-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 262.40 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 103011730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).