[3-(dimethylamino)phenyl]cyanamide

C9H11N3 — CID 115377794

IUPAC[3-(dimethylamino)phenyl]cyanamide
SMILESCN(C)c1cccc(NC#N)c1
InChIInChI=1S/C9H11N3/c1-12(2)9-5-3-4-8(6-9)11-7-10/h3-6,11H,1-2H3
InChIKeyZMONFRZITFKFEF-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.65
Rot. Bonds2

About [3-(dimethylamino)phenyl]cyanamide

[3-(dimethylamino)phenyl]cyanamide (PubChem CID 115377794) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]cyanamide.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]cyanamide
PubChem CID115377794
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name[3-(dimethylamino)phenyl]cyanamide
SMILESCN(C)c1cccc(NC#N)c1
InChIInChI=1S/C9H11N3/c1-12(2)9-5-3-4-8(6-9)11-7-10/h3-6,11H,1-2H3
InChIKeyZMONFRZITFKFEF-UHFFFAOYSA-N
XLogP1.65
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

3-[3-(dimethylamino)anilino]pentanenitrile
CID 115377658
ethane;1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
CID 90858464
3-bromo-5-[3-(dimethylamino)anilino]benzonitrile
CID 102816999
3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine
CID 115376107
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
5-bromo-2-[3-(dimethylamino)anilino]benzonitrile
CID 114890796
3-[3-(dimethylamino)anilino]pyridazine-4-carbonitrile
CID 113297690
3-N,3-N-dimethyl-1-N-pent-3-ynylbenzene-1,3-diamine
CID 104807429
CID 138691650
CID 138691650
1-N-[[4-(dimethylamino)phenyl]methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82538778
2-[3-(dimethylamino)phenyl]acetonitrile
CID 53403559
1-N-(1,1-dimethoxypropan-2-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297532

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]cyanamide?
The IUPAC name of [3-(dimethylamino)phenyl]cyanamide (CID 115377794) is [3-(dimethylamino)phenyl]cyanamide.
What is the SMILES notation for [3-(dimethylamino)phenyl]cyanamide?
The canonical SMILES for [3-(dimethylamino)phenyl]cyanamide is CN(C)c1cccc(NC#N)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]cyanamide?
The InChIKey is ZMONFRZITFKFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-12(2)9-5-3-4-8(6-9)11-7-10/h3-6,11H,1-2H3.
What are the key properties of [3-(dimethylamino)phenyl]cyanamide?
[3-(dimethylamino)phenyl]cyanamide has a molecular weight of 161.21 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]cyanamide is sourced from PubChem (CID 115377794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).