N,N-dimethyl-N'-(1-phenylpropan-2-yl)ethanimidamide

C13H20N2 — CID 3046297

IUPACN,N-dimethyl-N'-(1-phenylpropan-2-yl)ethanimidamide
SMILESC/C(=N\C(C)Cc1ccccc1)N(C)C
InChIInChI=1S/C13H20N2/c1-11(14-12(2)15(3)4)10-13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3/b14-12+
InChIKeyQHNQKCXRMUHPBT-WYMLVPIESA-N
MW204.32 g/mol
LogP2.60
Rot. Bonds3

About N,N-dimethyl-N'-(1-phenylpropan-2-yl)ethanimidamide

N,N-dimethyl-N'-(1-phenylpropan-2-yl)ethanimidamide (PubChem CID 3046297) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N,N-dimethyl-N'-(1-phenylpropan-2-yl)ethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(1-phenylpropan-2-yl)ethanimidamide
PubChem CID3046297
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN,N-dimethyl-N'-(1-phenylpropan-2-yl)ethanimidamide
SMILESC/C(=N\C(C)Cc1ccccc1)N(C)C
InChIInChI=1S/C13H20N2/c1-11(14-12(2)15(3)4)10-13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3/b14-12+
InChIKeyQHNQKCXRMUHPBT-WYMLVPIESA-N
XLogP2.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.60
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'-(1-phenylpropan-2-yl)ethanimidamide?
The IUPAC name of N,N-dimethyl-N'-(1-phenylpropan-2-yl)ethanimidamide (CID 3046297) is N,N-dimethyl-N'-(1-phenylpropan-2-yl)ethanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(1-phenylpropan-2-yl)ethanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(1-phenylpropan-2-yl)ethanimidamide is C/C(=N\C(C)Cc1ccccc1)N(C)C.
What is the InChIKey of N,N-dimethyl-N'-(1-phenylpropan-2-yl)ethanimidamide?
The InChIKey is QHNQKCXRMUHPBT-WYMLVPIESA-N. The full InChI is InChI=1S/C13H20N2/c1-11(14-12(2)15(3)4)10-13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3/b14-12+.
What are the key properties of N,N-dimethyl-N'-(1-phenylpropan-2-yl)ethanimidamide?
N,N-dimethyl-N'-(1-phenylpropan-2-yl)ethanimidamide has a molecular weight of 204.32 g/mol, XLogP of 2.60, 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'-(1-phenylpropan-2-yl)ethanimidamide is sourced from PubChem (CID 3046297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).