2-[bis(dimethylamino)methylidene]-N,N'-dicyclohexylpropanediamide

C20H36N4O2 — CID 100938462

IUPAC2-[bis(dimethylamino)methylidene]-N,N'-dicyclohexylpropanediamide
SMILESCN(C)C(=C(C(=O)NC1CCCCC1)C(=O)NC1CCCCC1)N(C)C
InChIInChI=1S/C20H36N4O2/c1-23(2)20(24(3)4)17(18(25)21-15-11-7-5-8-12-15)19(26)22-16-13-9-6-10-14-16/h15-16H,5-14H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyZHIOXENKTYAWGQ-UHFFFAOYSA-N
MW364.53 g/mol
LogP2.22
Rot. Bonds6

About 2-[bis(dimethylamino)methylidene]-N,N'-dicyclohexylpropanediamide

2-[bis(dimethylamino)methylidene]-N,N'-dicyclohexylpropanediamide (PubChem CID 100938462) has the molecular formula C20H36N4O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is 2-[bis(dimethylamino)methylidene]-N,N'-dicyclohexylpropanediamide.

Molecular Properties

Compound Name2-[bis(dimethylamino)methylidene]-N,N'-dicyclohexylpropanediamide
PubChem CID100938462
Molecular FormulaC20H36N4O2
Molecular Weight364.53 g/mol
Exact Mass364.28
IUPAC Name2-[bis(dimethylamino)methylidene]-N,N'-dicyclohexylpropanediamide
SMILESCN(C)C(=C(C(=O)NC1CCCCC1)C(=O)NC1CCCCC1)N(C)C
InChIInChI=1S/C20H36N4O2/c1-23(2)20(24(3)4)17(18(25)21-15-11-7-5-8-12-15)19(26)22-16-13-9-6-10-14-16/h15-16H,5-14H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyZHIOXENKTYAWGQ-UHFFFAOYSA-N
XLogP2.22
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

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CID 12861109
N-cyclododecyl-2-methylprop-2-enamide
CID 66733963
acetic acid;3-cyclohexyl-1,1-dimethylurea;ethane
CID 142518956
N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide
CID 2975425
(E)-N-cyclohexyl-2-methylbut-2-enamide
CID 14316395
1-cyclohexyl-3-(dimethylamino)urea
CID 3617823
N-cyclohexyl-N'-(2-hydroxyethyl)-N'-methyloxamide
CID 108504394
N-cyclooctyl-2-hydrazinyl-2-oxoacetamide
CID 43163933
N-cycloheptyl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108507306
(E)-N-cyclopentyl-2-methylbut-2-enamide
CID 89351716
N-cyclohexyl-2-methylprop-2-enamide;2-methylprop-2-enoic acid
CID 175055430
1-cyclobutyl-3-cyclohexylurea
CID 17217147

Frequently Asked Questions

What is the IUPAC name of 2-[bis(dimethylamino)methylidene]-N,N'-dicyclohexylpropanediamide?
The IUPAC name of 2-[bis(dimethylamino)methylidene]-N,N'-dicyclohexylpropanediamide (CID 100938462) is 2-[bis(dimethylamino)methylidene]-N,N'-dicyclohexylpropanediamide.
What is the SMILES notation for 2-[bis(dimethylamino)methylidene]-N,N'-dicyclohexylpropanediamide?
The canonical SMILES for 2-[bis(dimethylamino)methylidene]-N,N'-dicyclohexylpropanediamide is CN(C)C(=C(C(=O)NC1CCCCC1)C(=O)NC1CCCCC1)N(C)C.
What is the InChIKey of 2-[bis(dimethylamino)methylidene]-N,N'-dicyclohexylpropanediamide?
The InChIKey is ZHIOXENKTYAWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2/c1-23(2)20(24(3)4)17(18(25)21-15-11-7-5-8-12-15)19(26)22-16-13-9-6-10-14-16/h15-16H,5-14H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of 2-[bis(dimethylamino)methylidene]-N,N'-dicyclohexylpropanediamide?
2-[bis(dimethylamino)methylidene]-N,N'-dicyclohexylpropanediamide has a molecular weight of 364.53 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(dimethylamino)methylidene]-N,N'-dicyclohexylpropanediamide is sourced from PubChem (CID 100938462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).