N-methyl-8-(3-pyrazol-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine

C14H24N4 — CID 113413269

IUPACN-methyl-8-(3-pyrazol-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2CCCn1cccn1
InChIInChI=1S/C14H24N4/c1-15-12-10-13-4-5-14(11-12)18(13)9-3-8-17-7-2-6-16-17/h2,6-7,12-15H,3-5,8-11H2,1H3
InChIKeyDPXHQEYRXXJMAO-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.49
Rot. Bonds5

About N-methyl-8-(3-pyrazol-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-8-(3-pyrazol-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 113413269) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-8-(3-pyrazol-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-8-(3-pyrazol-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID113413269
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-methyl-8-(3-pyrazol-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2CCCn1cccn1
InChIInChI=1S/C14H24N4/c1-15-12-10-13-4-5-14(11-12)18(13)9-3-8-17-7-2-6-16-17/h2,6-7,12-15H,3-5,8-11H2,1H3
InChIKeyDPXHQEYRXXJMAO-UHFFFAOYSA-N
XLogP1.49
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-8-(1-pyrazol-1-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739349
8-(2-fluoroethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 130504670
N-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740307
N-methyl-8-(3-methylsulfonylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55106812
N-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 103011730
4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
CID 115651935
N-methyl-8-[(2-methylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55204218
1-cyclopropyl-5-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine
CID 115871543
N-ethyl-8-(4-imidazol-1-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62738316
N-methyl-9-[2-(1-methylimidazol-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106274
N-methyl-9-(3-morpholin-4-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712744
1-pentylpyrazole;propane
CID 156859541

Frequently Asked Questions

What is the IUPAC name of N-methyl-8-(3-pyrazol-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-8-(3-pyrazol-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 113413269) is N-methyl-8-(3-pyrazol-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-8-(3-pyrazol-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-8-(3-pyrazol-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2CCCn1cccn1.
What is the InChIKey of N-methyl-8-(3-pyrazol-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is DPXHQEYRXXJMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-15-12-10-13-4-5-14(11-12)18(13)9-3-8-17-7-2-6-16-17/h2,6-7,12-15H,3-5,8-11H2,1H3.
What are the key properties of N-methyl-8-(3-pyrazol-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-8-(3-pyrazol-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 248.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-(3-pyrazol-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 113413269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).