[3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine

C13H22N4 — CID 113430336

IUPAC[3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine
SMILESCn1cc(CN)c(N2CC3(CCCCC3)C2)n1
InChIInChI=1S/C13H22N4/c1-16-8-11(7-14)12(15-16)17-9-13(10-17)5-3-2-4-6-13/h8H,2-7,9-10,14H2,1H3
InChIKeyNXUJZKBQUQFBLV-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.65
Rot. Bonds2

About [3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine

[3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine (PubChem CID 113430336) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is [3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine
PubChem CID113430336
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name[3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine
SMILESCn1cc(CN)c(N2CC3(CCCCC3)C2)n1
InChIInChI=1S/C13H22N4/c1-16-8-11(7-14)12(15-16)17-9-13(10-17)5-3-2-4-6-13/h8H,2-7,9-10,14H2,1H3
InChIKeyNXUJZKBQUQFBLV-UHFFFAOYSA-N
XLogP1.65
TPSA47.08 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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-azaspiro[3.6]decan-2-yl)-1-methylpyrazol-4-yl]methanamine
CID 104592966
[3-(3,3-dipropylazetidin-1-yl)-1-methylpyrazol-4-yl]methanamine
CID 113430334
[5-(2-azaspiro[3.6]decan-2-yl)-2-fluorophenyl]methanamine
CID 79687951
[2-(2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]methanamine
CID 79677418
[2-(2-azaspiro[3.6]decan-2-yl)-3-methoxyphenyl]methanamine
CID 107467223
[3-(2-azaspiro[3.6]decan-2-yl)-4-methylphenyl]methanamine
CID 79687008
[2-(2-azaspiro[3.3]heptan-2-yl)phenyl]methanamine
CID 79677460
N-[(1-methylcyclohexyl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine
CID 103753035
(1,3-dimethylpyrazol-4-yl)methanamine;hydrate;hydrochloride
CID 86812145
2-[4-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanamine
CID 79686583
N,N-dimethyl-1-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 43766465
[6-(2-azaspiro[4.5]decan-2-yl)pyridazin-3-yl]methanamine
CID 114279559

Frequently Asked Questions

What is the IUPAC name of [3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine?
The IUPAC name of [3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine (CID 113430336) is [3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine.
What is the SMILES notation for [3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine?
The canonical SMILES for [3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine is Cn1cc(CN)c(N2CC3(CCCCC3)C2)n1.
What is the InChIKey of [3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine?
The InChIKey is NXUJZKBQUQFBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16-8-11(7-14)12(15-16)17-9-13(10-17)5-3-2-4-6-13/h8H,2-7,9-10,14H2,1H3.
What are the key properties of [3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine?
[3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine is sourced from PubChem (CID 113430336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).