N'-benzyl-N,N-dimethylethanimidamide

C11H16N2 — CID 525276

IUPACN'-benzyl-N,N-dimethylethanimidamide
SMILESC/C(=N\Cc1ccccc1)N(C)C
InChIInChI=1S/C11H16N2/c1-10(13(2)3)12-9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3/b12-10+
InChIKeyAMFPENPMLCZZRG-ZRDIBKRKSA-N
MW176.26 g/mol
LogP2.17
Rot. Bonds2

About N'-benzyl-N,N-dimethylethanimidamide

N'-benzyl-N,N-dimethylethanimidamide (PubChem CID 525276) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N'-benzyl-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-benzyl-N,N-dimethylethanimidamide
PubChem CID525276
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN'-benzyl-N,N-dimethylethanimidamide
SMILESC/C(=N\Cc1ccccc1)N(C)C
InChIInChI=1S/C11H16N2/c1-10(13(2)3)12-9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3/b12-10+
InChIKeyAMFPENPMLCZZRG-ZRDIBKRKSA-N
XLogP2.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.17
H-Bond Donors ≤ 50
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

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N-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine
CID 20701710
2-benzyl-3-(3-hydroxycyclobutyl)-1,1-dimethylguanidine
CID 122098260
N-benzyl-1-propan-2-yloxypropan-2-imine
CID 167562432
N-benzyl-2,4-dimethylpentan-3-imine
CID 15160187
3-benzyliminobutanoic acid
CID 23175618
2-benzyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 130557075
N'-benzylpropanimidamide
CID 45122449
2-benzyl-3-(2,2-difluoroethyl)-1,1-dimethylguanidine;hydroiodide
CID 111757669
2-benzyl-1-butan-2-yl-1-methylguanidine
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N'-benzyl-N-methoxybenzenecarboximidamide
CID 118529903

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N,N-dimethylethanimidamide?
The IUPAC name of N'-benzyl-N,N-dimethylethanimidamide (CID 525276) is N'-benzyl-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-benzyl-N,N-dimethylethanimidamide?
The canonical SMILES for N'-benzyl-N,N-dimethylethanimidamide is C/C(=N\Cc1ccccc1)N(C)C.
What is the InChIKey of N'-benzyl-N,N-dimethylethanimidamide?
The InChIKey is AMFPENPMLCZZRG-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H16N2/c1-10(13(2)3)12-9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3/b12-10+.
What are the key properties of N'-benzyl-N,N-dimethylethanimidamide?
N'-benzyl-N,N-dimethylethanimidamide has a molecular weight of 176.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N,N-dimethylethanimidamide is sourced from PubChem (CID 525276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).