ethane;N-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-amine

C13H23N3 — CID 177039053

IUPACethane;N-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-amine
SMILESCC.CNc1nncc2c1CCCCCC2
InChIInChI=1S/C11H17N3.C2H6/c1-12-11-10-7-5-3-2-4-6-9(10)8-13-14-11;1-2/h8H,2-7H2,1H3,(H,12,14);1-2H3
InChIKeyHOGMCBWFJHEWMM-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.20
Rot. Bonds1

About ethane;N-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-amine

ethane;N-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-amine (PubChem CID 177039053) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is ethane;N-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-amine.

Molecular Properties

Compound Nameethane;N-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-amine
PubChem CID177039053
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Nameethane;N-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-amine
SMILESCC.CNc1nncc2c1CCCCCC2
InChIInChI=1S/C11H17N3.C2H6/c1-12-11-10-7-5-3-2-4-6-9(10)8-13-14-11;1-2/h8H,2-7H2,1H3,(H,12,14);1-2H3
InChIKeyHOGMCBWFJHEWMM-UHFFFAOYSA-N
XLogP3.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-amine?
The IUPAC name of ethane;N-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-amine (CID 177039053) is ethane;N-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-amine.
What is the SMILES notation for ethane;N-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-amine?
The canonical SMILES for ethane;N-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-amine is CC.CNc1nncc2c1CCCCCC2.
What is the InChIKey of ethane;N-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-amine?
The InChIKey is HOGMCBWFJHEWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.C2H6/c1-12-11-10-7-5-3-2-4-6-9(10)8-13-14-11;1-2/h8H,2-7H2,1H3,(H,12,14);1-2H3.
What are the key properties of ethane;N-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-amine?
ethane;N-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-amine has a molecular weight of 221.35 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-amine is sourced from PubChem (CID 177039053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).