N'-butyl-N-methyl-N-phenylmethanimidamide

C12H18N2 — CID 10035442

IUPACN'-butyl-N-methyl-N-phenylmethanimidamide
SMILESCCCC/N=C/N(C)c1ccccc1
InChIInChI=1S/C12H18N2/c1-3-4-10-13-11-14(2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3/b13-11+
InChIKeyWVXHJWLKDRGIIX-ACCUITESSA-N
MW190.29 g/mol
LogP2.95
Rot. Bonds5

About N'-butyl-N-methyl-N-phenylmethanimidamide

N'-butyl-N-methyl-N-phenylmethanimidamide (PubChem CID 10035442) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N'-butyl-N-methyl-N-phenylmethanimidamide.

Molecular Properties

Compound NameN'-butyl-N-methyl-N-phenylmethanimidamide
PubChem CID10035442
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN'-butyl-N-methyl-N-phenylmethanimidamide
SMILESCCCC/N=C/N(C)c1ccccc1
InChIInChI=1S/C12H18N2/c1-3-4-10-13-11-14(2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3/b13-11+
InChIKeyWVXHJWLKDRGIIX-ACCUITESSA-N
XLogP2.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dimethylaniline
CID 949
N,N-Diethylaniline
CID 7061
N,N,N',N'-tetramethyl-p-phenylenediamine
CID 7490
Trimethylphenylammonium iodide
CID 94135
Phenyltrimethylammonium chloride
CID 67309
1,2-Ethanediamine, N1-ethyl-N2,N2-dimethyl-N1-phenyl-
CID 33984
3-(Ethylphenylamino)propanenitrile
CID 8995
Tetramethyl-p-phenylenediamine dihydrochloride
CID 71561
Trimethylphenylammonium hydroxide
CID 15913
Phenyltrimethylammonium bromide
CID 27663
N,N-Dibutylaniline
CID 61154
N,N'-Diphenylformamidine
CID 94888

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-methyl-N-phenylmethanimidamide?
The IUPAC name of N'-butyl-N-methyl-N-phenylmethanimidamide (CID 10035442) is N'-butyl-N-methyl-N-phenylmethanimidamide.
What is the SMILES notation for N'-butyl-N-methyl-N-phenylmethanimidamide?
The canonical SMILES for N'-butyl-N-methyl-N-phenylmethanimidamide is CCCC/N=C/N(C)c1ccccc1.
What is the InChIKey of N'-butyl-N-methyl-N-phenylmethanimidamide?
The InChIKey is WVXHJWLKDRGIIX-ACCUITESSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-4-10-13-11-14(2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3/b13-11+.
What are the key properties of N'-butyl-N-methyl-N-phenylmethanimidamide?
N'-butyl-N-methyl-N-phenylmethanimidamide has a molecular weight of 190.29 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-methyl-N-phenylmethanimidamide is sourced from PubChem (CID 10035442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).