N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine

C19H21N3 — CID 167818837

IUPACN-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine
SMILESc1ccc2c(c1)CCC1C(Nc3cc4c(nn3)CCC4)CC21
InChIInChI=1S/C19H21N3/c1-2-6-14-12(4-1)8-9-15-16(14)11-18(15)20-19-10-13-5-3-7-17(13)21-22-19/h1-2,4,6,10,15-16,18H,3,5,7-9,11H2,(H,20,22)
InChIKeyASBSBTBRLOTHDL-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.50
Rot. Bonds2

About N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine

N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine (PubChem CID 167818837) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine.

Molecular Properties

Compound NameN-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine
PubChem CID167818837
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC NameN-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine
SMILESc1ccc2c(c1)CCC1C(Nc3cc4c(nn3)CCC4)CC21
InChIInChI=1S/C19H21N3/c1-2-6-14-12(4-1)8-9-15-16(14)11-18(15)20-19-10-13-5-3-7-17(13)21-22-19/h1-2,4,6,10,15-16,18H,3,5,7-9,11H2,(H,20,22)
InChIKeyASBSBTBRLOTHDL-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine?
The IUPAC name of N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine (CID 167818837) is N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine.
What is the SMILES notation for N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine?
The canonical SMILES for N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine is c1ccc2c(c1)CCC1C(Nc3cc4c(nn3)CCC4)CC21.
What is the InChIKey of N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine?
The InChIKey is ASBSBTBRLOTHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-2-6-14-12(4-1)8-9-15-16(14)11-18(15)20-19-10-13-5-3-7-17(13)21-22-19/h1-2,4,6,10,15-16,18H,3,5,7-9,11H2,(H,20,22).
What are the key properties of N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine?
N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine has a molecular weight of 291.40 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine is sourced from PubChem (CID 167818837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).