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

C11H16N2 — CID 27487

IUPACN,N-dimethyl-N'-(2-phenylethyl)methanimidamide
SMILESCN(C)/C=N/CCc1ccccc1
InChIInChI=1S/C11H16N2/c1-13(2)10-12-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/b12-10+
InChIKeyKPDUVWBTRFPCGC-ZRDIBKRKSA-N
MW176.26 g/mol
LogP1.82
Rot. Bonds4

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

N,N-dimethyl-N'-(2-phenylethyl)methanimidamide (PubChem CID 27487) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N,N-dimethyl-N'-(2-phenylethyl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(2-phenylethyl)methanimidamide
PubChem CID27487
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN,N-dimethyl-N'-(2-phenylethyl)methanimidamide
SMILESCN(C)/C=N/CCc1ccccc1
InChIInChI=1S/C11H16N2/c1-13(2)10-12-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/b12-10+
InChIKeyKPDUVWBTRFPCGC-ZRDIBKRKSA-N
XLogP1.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.82
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'}

Analyze N,N-dimethyl-N'-(2-phenylethyl)methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenformin
CID 8249
N,N-Dimethylphenylethylamine
CID 25125
Phenformin Hydrochloride
CID 13266
Dimethylamphetamine
CID 20006
Dimethamphetamine
CID 65682
2-Imidazoline, 2-benzyl-1-methyl-
CID 47570
1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-phenylbutyl)-
CID 417287
3-Phenylpropylguanidine
CID 3513127
N-methyl-N-(2-phenylethyl)hexan-1-amine
CID 10242555
N,N-Dimethyl-5-phenylpentan-1-amine
CID 12347284
N,N-Dimethylbenzenepropanamine
CID 25187
Benzeneethanaminium, N,N,N-trimethyl-, bromide (1:1)
CID 22451

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(2-phenylethyl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(2-phenylethyl)methanimidamide (CID 27487) is N,N-dimethyl-N'-(2-phenylethyl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(2-phenylethyl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(2-phenylethyl)methanimidamide is CN(C)/C=N/CCc1ccccc1.
What is the InChIKey of N,N-dimethyl-N'-(2-phenylethyl)methanimidamide?
The InChIKey is KPDUVWBTRFPCGC-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H16N2/c1-13(2)10-12-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/b12-10+.
What are the key properties of N,N-dimethyl-N'-(2-phenylethyl)methanimidamide?
N,N-dimethyl-N'-(2-phenylethyl)methanimidamide has a molecular weight of 176.26 g/mol, XLogP of 1.82, 4 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)methanimidamide is sourced from PubChem (CID 27487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).