1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[d]pyridazine

C10H20N2 — CID 175513739

IUPAC1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[d]pyridazine
SMILESC1CCCC2CNNCC2CC1
InChIInChI=1S/C10H20N2/c1-2-4-6-10-8-12-11-7-9(10)5-3-1/h9-12H,1-8H2
InChIKeyWGXOAOJPORBFAM-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.68
Rot. Bonds

About 1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[d]pyridazine

1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[d]pyridazine (PubChem CID 175513739) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[d]pyridazine.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[d]pyridazine
PubChem CID175513739
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[d]pyridazine
SMILESC1CCCC2CNNCC2CC1
InChIInChI=1S/C10H20N2/c1-2-4-6-10-8-12-11-7-9(10)5-3-1/h9-12H,1-8H2
InChIKeyWGXOAOJPORBFAM-UHFFFAOYSA-N
XLogP1.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 172701380
CID 172701380
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CID 58427678
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(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine
CID 92720083
(3S)-3-cyclohexylpiperidine
CID 7016473
(4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine
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2-cyclohexylaziridine
CID 14342017
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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[d]pyridazine?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[d]pyridazine (CID 175513739) is 1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[d]pyridazine.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[d]pyridazine?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[d]pyridazine is C1CCCC2CNNCC2CC1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[d]pyridazine?
The InChIKey is WGXOAOJPORBFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-2-4-6-10-8-12-11-7-9(10)5-3-1/h9-12H,1-8H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[d]pyridazine?
1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[d]pyridazine has a molecular weight of 168.28 g/mol, XLogP of 1.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[d]pyridazine is sourced from PubChem (CID 175513739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).