2,3-dimethyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[d]imidazole

C12H20N2 — CID 166685535

IUPAC2,3-dimethyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[d]imidazole
SMILESCc1nc2c(n1C)CCCCCCC2
InChIInChI=1S/C12H20N2/c1-10-13-11-8-6-4-3-5-7-9-12(11)14(10)2/h3-9H2,1-2H3
InChIKeyCHZPEHUTRBELEW-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.78
Rot. Bonds

About 2,3-dimethyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[d]imidazole

2,3-dimethyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[d]imidazole (PubChem CID 166685535) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2,3-dimethyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[d]imidazole.

Molecular Properties

Compound Name2,3-dimethyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[d]imidazole
PubChem CID166685535
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2,3-dimethyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[d]imidazole
SMILESCc1nc2c(n1C)CCCCCCC2
InChIInChI=1S/C12H20N2/c1-10-13-11-8-6-4-3-5-7-9-12(11)14(10)2/h3-9H2,1-2H3
InChIKeyCHZPEHUTRBELEW-UHFFFAOYSA-N
XLogP2.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[d]imidazole?
The IUPAC name of 2,3-dimethyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[d]imidazole (CID 166685535) is 2,3-dimethyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[d]imidazole.
What is the SMILES notation for 2,3-dimethyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[d]imidazole?
The canonical SMILES for 2,3-dimethyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[d]imidazole is Cc1nc2c(n1C)CCCCCCC2.
What is the InChIKey of 2,3-dimethyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[d]imidazole?
The InChIKey is CHZPEHUTRBELEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10-13-11-8-6-4-3-5-7-9-12(11)14(10)2/h3-9H2,1-2H3.
What are the key properties of 2,3-dimethyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[d]imidazole?
2,3-dimethyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[d]imidazole has a molecular weight of 192.31 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[d]imidazole is sourced from PubChem (CID 166685535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).