N'-[(S)-cyano(phenyl)methyl]-N,N-dimethylmethanimidamide

C11H13N3 — CID 11240893

IUPACN'-[(S)-cyano(phenyl)methyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/[C@H](C#N)c1ccccc1
InChIInChI=1S/C11H13N3/c1-14(2)9-13-11(8-12)10-6-4-3-5-7-10/h3-7,9,11H,1-2H3/b13-9+/t11-/m1/s1
InChIKeyRDLBRQQNGFQDLR-VSXLWIIGSA-N
MW187.25 g/mol
LogP1.84
Rot. Bonds3

About N'-[(S)-cyano(phenyl)methyl]-N,N-dimethylmethanimidamide

N'-[(S)-cyano(phenyl)methyl]-N,N-dimethylmethanimidamide (PubChem CID 11240893) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N'-[(S)-cyano(phenyl)methyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[(S)-cyano(phenyl)methyl]-N,N-dimethylmethanimidamide
PubChem CID11240893
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN'-[(S)-cyano(phenyl)methyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/[C@H](C#N)c1ccccc1
InChIInChI=1S/C11H13N3/c1-14(2)9-13-11(8-12)10-6-4-3-5-7-10/h3-7,9,11H,1-2H3/b13-9+/t11-/m1/s1
InChIKeyRDLBRQQNGFQDLR-VSXLWIIGSA-N
XLogP1.84
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

ethyl (2S)-2-cyano-3-[(S)-cyano(phenyl)methyl]iminopropanoate
CID 8811927
(2R)-2-isocyanato-2-phenylacetonitrile
CID 124604601
(2S,3R)-2,3-diphenylbutanedinitrile
CID 714999
2-[ethylsulfanyl(phenyl)methyl]propanedinitrile
CID 12663218
2-phenyl-2-phosphanylacetonitrile
CID 174529677
N-[bis(dimethylamino)-[(1S,2S)-1,2-diphenyl-2-[[tris(dimethylamino)-λ5-phosphanylidene]amino]ethyl]imino-λ5-phosphanyl]-N-methylmethanamine
CID 101458764
3-[butan-2-yl(methyl)amino]-2-phenylpropanenitrile
CID 64538564
ethane;2-phenylpropanenitrile
CID 91366777
methyl(1-phenylethyl)cyanamide
CID 117029364
2-[4-(dimethylamino)phenyl]-3-phenylbutanenitrile
CID 82140216
2-(4-methylphenyl)-3-phenylbutanenitrile
CID 82140186
[cyano(phenyl)methyl]-trimethylazanium
CID 11108915

Frequently Asked Questions

What is the IUPAC name of N'-[(S)-cyano(phenyl)methyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[(S)-cyano(phenyl)methyl]-N,N-dimethylmethanimidamide (CID 11240893) is N'-[(S)-cyano(phenyl)methyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[(S)-cyano(phenyl)methyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[(S)-cyano(phenyl)methyl]-N,N-dimethylmethanimidamide is CN(C)/C=N/[C@H](C#N)c1ccccc1.
What is the InChIKey of N'-[(S)-cyano(phenyl)methyl]-N,N-dimethylmethanimidamide?
The InChIKey is RDLBRQQNGFQDLR-VSXLWIIGSA-N. The full InChI is InChI=1S/C11H13N3/c1-14(2)9-13-11(8-12)10-6-4-3-5-7-10/h3-7,9,11H,1-2H3/b13-9+/t11-/m1/s1.
What are the key properties of N'-[(S)-cyano(phenyl)methyl]-N,N-dimethylmethanimidamide?
N'-[(S)-cyano(phenyl)methyl]-N,N-dimethylmethanimidamide has a molecular weight of 187.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(S)-cyano(phenyl)methyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 11240893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).