N,N-dimethyl-N'-(2-phenylethyl)ethanimidamide

C12H18N2 — CID 3046294

IUPACN,N-dimethyl-N'-(2-phenylethyl)ethanimidamide
SMILESC/C(=N\CCc1ccccc1)N(C)C
InChIInChI=1S/C12H18N2/c1-11(14(2)3)13-10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3/b13-11+
InChIKeyRJURIYGGORYMTF-ACCUITESSA-N
MW190.29 g/mol
LogP2.21
Rot. Bonds3

About N,N-dimethyl-N'-(2-phenylethyl)ethanimidamide

N,N-dimethyl-N'-(2-phenylethyl)ethanimidamide (PubChem CID 3046294) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N,N-dimethyl-N'-(2-phenylethyl)ethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(2-phenylethyl)ethanimidamide
PubChem CID3046294
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN,N-dimethyl-N'-(2-phenylethyl)ethanimidamide
SMILESC/C(=N\CCc1ccccc1)N(C)C
InChIInChI=1S/C12H18N2/c1-11(14(2)3)13-10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3/b13-11+
InChIKeyRJURIYGGORYMTF-ACCUITESSA-N
XLogP2.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.21
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(2-phenylethyl)ethanimidamide?
The IUPAC name of N,N-dimethyl-N'-(2-phenylethyl)ethanimidamide (CID 3046294) is N,N-dimethyl-N'-(2-phenylethyl)ethanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(2-phenylethyl)ethanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(2-phenylethyl)ethanimidamide is C/C(=N\CCc1ccccc1)N(C)C.
What is the InChIKey of N,N-dimethyl-N'-(2-phenylethyl)ethanimidamide?
The InChIKey is RJURIYGGORYMTF-ACCUITESSA-N. The full InChI is InChI=1S/C12H18N2/c1-11(14(2)3)13-10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3/b13-11+.
What are the key properties of N,N-dimethyl-N'-(2-phenylethyl)ethanimidamide?
N,N-dimethyl-N'-(2-phenylethyl)ethanimidamide has a molecular weight of 190.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(2-phenylethyl)ethanimidamide is sourced from PubChem (CID 3046294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).