5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline

C13H23N3 — CID 141129380

IUPAC5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline
SMILESCCCN1CCCC2C=C3NNCC3CC21
InChIInChI=1S/C13H23N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h7,10-11,13-15H,2-6,8-9H2,1H3
InChIKeyDYGRXSYCCBWAAX-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.49
Rot. Bonds2

About 5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline

5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline (PubChem CID 141129380) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline.

Molecular Properties

Compound Name5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline
PubChem CID141129380
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline
SMILESCCCN1CCCC2C=C3NNCC3CC21
InChIInChI=1S/C13H23N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h7,10-11,13-15H,2-6,8-9H2,1H3
InChIKeyDYGRXSYCCBWAAX-UHFFFAOYSA-N
XLogP1.49
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline;hydrochloride
CID 141129379
3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridine
CID 176569229
[3-Methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-2-enyl]hydrazine
CID 105265895
[Cyclohexen-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 106649495
7-(2-Methylpropyl)-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine
CID 169193178

Frequently Asked Questions

What is the IUPAC name of 5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline?
The IUPAC name of 5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline (CID 141129380) is 5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline.
What is the SMILES notation for 5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline?
The canonical SMILES for 5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline is CCCN1CCCC2C=C3NNCC3CC21.
What is the InChIKey of 5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline?
The InChIKey is DYGRXSYCCBWAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h7,10-11,13-15H,2-6,8-9H2,1H3.
What are the key properties of 5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline?
5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline has a molecular weight of 221.35 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1,2,3,3a,4,4a,6,7,8,8a-decahydropyrazolo[3,4-g]quinoline is sourced from PubChem (CID 141129380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).