1-[bis(dimethylamino)methylidene]-3-(2,6-dimethylphenyl)urea

C14H22N4O — CID 3050627

IUPAC1-[bis(dimethylamino)methylidene]-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)N=C(N(C)C)N(C)C
InChIInChI=1S/C14H22N4O/c1-10-8-7-9-11(2)12(10)15-13(19)16-14(17(3)4)18(5)6/h7-9H,1-6H3,(H,15,19)
InChIKeyCECJQZDLCRAARD-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.31
Rot. Bonds1

About 1-[bis(dimethylamino)methylidene]-3-(2,6-dimethylphenyl)urea

1-[bis(dimethylamino)methylidene]-3-(2,6-dimethylphenyl)urea (PubChem CID 3050627) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[bis(dimethylamino)methylidene]-3-(2,6-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[bis(dimethylamino)methylidene]-3-(2,6-dimethylphenyl)urea
PubChem CID3050627
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[bis(dimethylamino)methylidene]-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)N=C(N(C)C)N(C)C
InChIInChI=1S/C14H22N4O/c1-10-8-7-9-11(2)12(10)15-13(19)16-14(17(3)4)18(5)6/h7-9H,1-6H3,(H,15,19)
InChIKeyCECJQZDLCRAARD-UHFFFAOYSA-N
XLogP2.31
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[bis(dimethylamino)methylidene]-3-(2-ethyl-6-methylphenyl)urea
CID 3050633
1-[bis(dimethylamino)methylidene]-3-(2-ethyl-6-methylphenyl)urea;hydrochloride
CID 3050632
1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride
CID 3052078
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
3-[amino-(2,6-dimethylanilino)methylidene]-1,1,2-trimethylguanidine
CID 54466798
3-[2-(dimethylcarbamoylamino)-3-methylphenyl]-1,1-dimethylurea
CID 67750256
1-[amino(diethylamino)methylidene]-3-(2-bromo-6-methylphenyl)urea
CID 54554086
1-[amino(1,2-oxazolidin-2-yl)methylidene]-3-(2,6-dimethylphenyl)urea
CID 54427891
(2E)-N-(2,6-dimethylphenyl)-2-hydroxyiminopropanamide
CID 176944148
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
N-(2,6-dimethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512317
2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]-N-methylpropanamide
CID 110190796

Frequently Asked Questions

What is the IUPAC name of 1-[bis(dimethylamino)methylidene]-3-(2,6-dimethylphenyl)urea?
The IUPAC name of 1-[bis(dimethylamino)methylidene]-3-(2,6-dimethylphenyl)urea (CID 3050627) is 1-[bis(dimethylamino)methylidene]-3-(2,6-dimethylphenyl)urea.
What is the SMILES notation for 1-[bis(dimethylamino)methylidene]-3-(2,6-dimethylphenyl)urea?
The canonical SMILES for 1-[bis(dimethylamino)methylidene]-3-(2,6-dimethylphenyl)urea is Cc1cccc(C)c1NC(=O)N=C(N(C)C)N(C)C.
What is the InChIKey of 1-[bis(dimethylamino)methylidene]-3-(2,6-dimethylphenyl)urea?
The InChIKey is CECJQZDLCRAARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-8-7-9-11(2)12(10)15-13(19)16-14(17(3)4)18(5)6/h7-9H,1-6H3,(H,15,19).
What are the key properties of 1-[bis(dimethylamino)methylidene]-3-(2,6-dimethylphenyl)urea?
1-[bis(dimethylamino)methylidene]-3-(2,6-dimethylphenyl)urea has a molecular weight of 262.36 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(dimethylamino)methylidene]-3-(2,6-dimethylphenyl)urea is sourced from PubChem (CID 3050627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).