5-methyl-2-[[2-[(4-methyl-2-oxocyclohexylidene)methylamino]ethylamino]methylidene]cyclohexan-1-one

C18H28N2O2 — CID 592502

IUPAC5-methyl-2-[[2-[(4-methyl-2-oxocyclohexylidene)methylamino]ethylamino]methylidene]cyclohexan-1-one
SMILESCC1CCC(=CNCCNC=C2CCC(C)CC2=O)C(=O)C1
InChIInChI=1S/C18H28N2O2/c1-13-3-5-15(17(21)9-13)11-19-7-8-20-12-16-6-4-14(2)10-18(16)22/h11-14,19-20H,3-10H2,1-2H3
InChIKeySXJMTRLVRIZNQW-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.71
Rot. Bonds5

About 5-methyl-2-[[2-[(4-methyl-2-oxocyclohexylidene)methylamino]ethylamino]methylidene]cyclohexan-1-one

5-methyl-2-[[2-[(4-methyl-2-oxocyclohexylidene)methylamino]ethylamino]methylidene]cyclohexan-1-one (PubChem CID 592502) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 5-methyl-2-[[2-[(4-methyl-2-oxocyclohexylidene)methylamino]ethylamino]methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name5-methyl-2-[[2-[(4-methyl-2-oxocyclohexylidene)methylamino]ethylamino]methylidene]cyclohexan-1-one
PubChem CID592502
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name5-methyl-2-[[2-[(4-methyl-2-oxocyclohexylidene)methylamino]ethylamino]methylidene]cyclohexan-1-one
SMILESCC1CCC(=CNCCNC=C2CCC(C)CC2=O)C(=O)C1
InChIInChI=1S/C18H28N2O2/c1-13-3-5-15(17(21)9-13)11-19-7-8-20-12-16-6-4-14(2)10-18(16)22/h11-14,19-20H,3-10H2,1-2H3
InChIKeySXJMTRLVRIZNQW-UHFFFAOYSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[2-[(4-methyl-2-oxocyclohexylidene)methylamino]ethylamino]methylidene]cyclohexan-1-one?
The IUPAC name of 5-methyl-2-[[2-[(4-methyl-2-oxocyclohexylidene)methylamino]ethylamino]methylidene]cyclohexan-1-one (CID 592502) is 5-methyl-2-[[2-[(4-methyl-2-oxocyclohexylidene)methylamino]ethylamino]methylidene]cyclohexan-1-one.
What is the SMILES notation for 5-methyl-2-[[2-[(4-methyl-2-oxocyclohexylidene)methylamino]ethylamino]methylidene]cyclohexan-1-one?
The canonical SMILES for 5-methyl-2-[[2-[(4-methyl-2-oxocyclohexylidene)methylamino]ethylamino]methylidene]cyclohexan-1-one is CC1CCC(=CNCCNC=C2CCC(C)CC2=O)C(=O)C1.
What is the InChIKey of 5-methyl-2-[[2-[(4-methyl-2-oxocyclohexylidene)methylamino]ethylamino]methylidene]cyclohexan-1-one?
The InChIKey is SXJMTRLVRIZNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13-3-5-15(17(21)9-13)11-19-7-8-20-12-16-6-4-14(2)10-18(16)22/h11-14,19-20H,3-10H2,1-2H3.
What are the key properties of 5-methyl-2-[[2-[(4-methyl-2-oxocyclohexylidene)methylamino]ethylamino]methylidene]cyclohexan-1-one?
5-methyl-2-[[2-[(4-methyl-2-oxocyclohexylidene)methylamino]ethylamino]methylidene]cyclohexan-1-one has a molecular weight of 304.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[2-[(4-methyl-2-oxocyclohexylidene)methylamino]ethylamino]methylidene]cyclohexan-1-one is sourced from PubChem (CID 592502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).