4-(4,8-dimethylnonyl)-1-N-methylidenecyclohexane-1,2-dicarboxamide

C20H36N2O2 — CID 123266037

IUPAC4-(4,8-dimethylnonyl)-1-N-methylidenecyclohexane-1,2-dicarboxamide
SMILESC=NC(=O)C1CCC(CCCC(C)CCCC(C)C)CC1C(N)=O
InChIInChI=1S/C20H36N2O2/c1-14(2)7-5-8-15(3)9-6-10-16-11-12-17(20(24)22-4)18(13-16)19(21)23/h14-18H,4-13H2,1-3H3,(H2,21,23)
InChIKeyLJVRMBFSVKMSCL-UHFFFAOYSA-N
MW336.52 g/mol
LogP4.36
Rot. Bonds10

About 4-(4,8-dimethylnonyl)-1-N-methylidenecyclohexane-1,2-dicarboxamide

4-(4,8-dimethylnonyl)-1-N-methylidenecyclohexane-1,2-dicarboxamide (PubChem CID 123266037) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 4-(4,8-dimethylnonyl)-1-N-methylidenecyclohexane-1,2-dicarboxamide.

Molecular Properties

Compound Name4-(4,8-dimethylnonyl)-1-N-methylidenecyclohexane-1,2-dicarboxamide
PubChem CID123266037
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC Name4-(4,8-dimethylnonyl)-1-N-methylidenecyclohexane-1,2-dicarboxamide
SMILESC=NC(=O)C1CCC(CCCC(C)CCCC(C)C)CC1C(N)=O
InChIInChI=1S/C20H36N2O2/c1-14(2)7-5-8-15(3)9-6-10-16-11-12-17(20(24)22-4)18(13-16)19(21)23/h14-18H,4-13H2,1-3H3,(H2,21,23)
InChIKeyLJVRMBFSVKMSCL-UHFFFAOYSA-N
XLogP4.36
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

bis(2-methylpropyl) 4-(4,8-dimethylnonyl)cyclohexane-1,2-dicarboxylate
CID 71015515
dimethyl (1R)-4-(4,8-dimethylnonyl)cyclohexane-1,2-dicarboxylate
CID 144537537
6-(4,8-dimethylnonyl)-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
CID 71042337
2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2-[3-(4,8-dimethylnonyl)cyclohexyl]acetate
CID 123762820
bis(2-methoxyethyl) 5-(4,8-dimethylnonyl)-3-(3,7,11-trimethyldodecyl)cyclohexane-1,2-dicarboxylate
CID 71042372
(2R)-3-[15-[(1R,3S)-3-[15-[(2R)-3-amino-2-[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]propoxy]pentadecyl]cyclopentyl]pentadecoxy]-2-[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]propan-1-amine
CID 23657713
9,10-dimethylidene-2,6-bis(4-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracene
CID 123196429
1-(4,8-dimethylnonyl)-4-methylcyclohexane;ethane;1-methyl-3-(4-methylpentyl)cyclohexane
CID 169000947
dodecyl 3-(4,8-dimethylnonyl)cyclohexane-1-carboxylate
CID 71014506
3-(4-methylpentyl)cyclohexan-1-amine
CID 83169215
dimethyl 4-(4-chloro-4,8-dimethylnonyl)cyclohexane-1,2-dicarboxylate
CID 71042142
4-[1-[4-(4,8-dimethylnonyl)-2-[2-(3-hydroxy-3-methylbutoxy)-2-methylpropyl]cyclohexyl]-2-methylpropan-2-yl]oxy-2-methylbutan-2-ol
CID 123259040

Frequently Asked Questions

What is the IUPAC name of 4-(4,8-dimethylnonyl)-1-N-methylidenecyclohexane-1,2-dicarboxamide?
The IUPAC name of 4-(4,8-dimethylnonyl)-1-N-methylidenecyclohexane-1,2-dicarboxamide (CID 123266037) is 4-(4,8-dimethylnonyl)-1-N-methylidenecyclohexane-1,2-dicarboxamide.
What is the SMILES notation for 4-(4,8-dimethylnonyl)-1-N-methylidenecyclohexane-1,2-dicarboxamide?
The canonical SMILES for 4-(4,8-dimethylnonyl)-1-N-methylidenecyclohexane-1,2-dicarboxamide is C=NC(=O)C1CCC(CCCC(C)CCCC(C)C)CC1C(N)=O.
What is the InChIKey of 4-(4,8-dimethylnonyl)-1-N-methylidenecyclohexane-1,2-dicarboxamide?
The InChIKey is LJVRMBFSVKMSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2/c1-14(2)7-5-8-15(3)9-6-10-16-11-12-17(20(24)22-4)18(13-16)19(21)23/h14-18H,4-13H2,1-3H3,(H2,21,23).
What are the key properties of 4-(4,8-dimethylnonyl)-1-N-methylidenecyclohexane-1,2-dicarboxamide?
4-(4,8-dimethylnonyl)-1-N-methylidenecyclohexane-1,2-dicarboxamide has a molecular weight of 336.52 g/mol, XLogP of 4.36, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,8-dimethylnonyl)-1-N-methylidenecyclohexane-1,2-dicarboxamide is sourced from PubChem (CID 123266037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).