N-ethyl-N,3-dimethylbenzenecarboximidamide

C11H16N2 — CID 175721191

IUPACN-ethyl-N,3-dimethylbenzenecarboximidamide
SMILES[H]/N=C(/c1cccc(C)c1)N(C)CC
InChIInChI=1S/C11H16N2/c1-4-13(3)11(12)10-7-5-6-9(2)8-10/h5-8,12H,4H2,1-3H3/b12-11-
InChIKeyAVXIRTGITYFIRN-QXMHVHEDSA-N
MW176.26 g/mol
LogP2.27
Rot. Bonds2

About N-ethyl-N,3-dimethylbenzenecarboximidamide

N-ethyl-N,3-dimethylbenzenecarboximidamide (PubChem CID 175721191) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-ethyl-N,3-dimethylbenzenecarboximidamide.

Molecular Properties

Compound NameN-ethyl-N,3-dimethylbenzenecarboximidamide
PubChem CID175721191
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-ethyl-N,3-dimethylbenzenecarboximidamide
SMILES[H]/N=C(/c1cccc(C)c1)N(C)CC
InChIInChI=1S/C11H16N2/c1-4-13(3)11(12)10-7-5-6-9(2)8-10/h5-8,12H,4H2,1-3H3/b12-11-
InChIKeyAVXIRTGITYFIRN-QXMHVHEDSA-N
XLogP2.27
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.27
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

N-amino-N,3-dimethylbenzenecarboximidamide;ethane
CID 143051619
N,N-diethyl-3-hydroxybenzenecarboximidamide
CID 107922201
methyl 3-methylbenzenecarboximidothioate
CID 58503711
N-[2-(dimethylamino)ethyl]-N-methylbenzenecarboximidamide
CID 63725873
1-methyl-1-[(3-methylphenyl)methyl]guanidine
CID 44827695
N-ethyl-N-methyl-5-(3-methylphenyl)spiro[2.3]hexane-5-carboximidamide
CID 171623104
3-methoxy-N,N-dimethylbenzenecarboximidamide
CID 63182019
2-(N-ethyl-3-methylanilino)ethanimidamide
CID 61075863
N-ethyl-N-methyl-4-(3-trimethylsilylpropoxy)benzenecarboximidamide
CID 175703258
N-methyl-N-(3-methylphenyl)ethanimidamide
CID 63173195
ethane;N,N,3-trimethylbenzenecarbothioamide
CID 143449435
S-[3-(diethylamino)propyl] 3-methylbenzenecarbothioate
CID 23622342

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,3-dimethylbenzenecarboximidamide?
The IUPAC name of N-ethyl-N,3-dimethylbenzenecarboximidamide (CID 175721191) is N-ethyl-N,3-dimethylbenzenecarboximidamide.
What is the SMILES notation for N-ethyl-N,3-dimethylbenzenecarboximidamide?
The canonical SMILES for N-ethyl-N,3-dimethylbenzenecarboximidamide is [H]/N=C(/c1cccc(C)c1)N(C)CC.
What is the InChIKey of N-ethyl-N,3-dimethylbenzenecarboximidamide?
The InChIKey is AVXIRTGITYFIRN-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-13(3)11(12)10-7-5-6-9(2)8-10/h5-8,12H,4H2,1-3H3/b12-11-.
What are the key properties of N-ethyl-N,3-dimethylbenzenecarboximidamide?
N-ethyl-N,3-dimethylbenzenecarboximidamide has a molecular weight of 176.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,3-dimethylbenzenecarboximidamide is sourced from PubChem (CID 175721191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).