N,N'-dimethyl-N-phenylpropanimidamide

C11H16N2 — CID 155020037

IUPACN,N'-dimethyl-N-phenylpropanimidamide
SMILESCC/C(=N\C)N(C)c1ccccc1
InChIInChI=1S/C11H16N2/c1-4-11(12-2)13(3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3/b12-11+
InChIKeyDLOVHIICBWOBDP-VAWYXSNFSA-N
MW176.26 g/mol
LogP2.56
Rot. Bonds2

About N,N'-dimethyl-N-phenylpropanimidamide

N,N'-dimethyl-N-phenylpropanimidamide (PubChem CID 155020037) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N,N'-dimethyl-N-phenylpropanimidamide.

Molecular Properties

Compound NameN,N'-dimethyl-N-phenylpropanimidamide
PubChem CID155020037
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN,N'-dimethyl-N-phenylpropanimidamide
SMILESCC/C(=N\C)N(C)c1ccccc1
InChIInChI=1S/C11H16N2/c1-4-11(12-2)13(3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3/b12-11+
InChIKeyDLOVHIICBWOBDP-VAWYXSNFSA-N
XLogP2.56
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.56
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-phenylpropanimidamide?
The IUPAC name of N,N'-dimethyl-N-phenylpropanimidamide (CID 155020037) is N,N'-dimethyl-N-phenylpropanimidamide.
What is the SMILES notation for N,N'-dimethyl-N-phenylpropanimidamide?
The canonical SMILES for N,N'-dimethyl-N-phenylpropanimidamide is CC/C(=N\C)N(C)c1ccccc1.
What is the InChIKey of N,N'-dimethyl-N-phenylpropanimidamide?
The InChIKey is DLOVHIICBWOBDP-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-11(12-2)13(3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3/b12-11+.
What are the key properties of N,N'-dimethyl-N-phenylpropanimidamide?
N,N'-dimethyl-N-phenylpropanimidamide has a molecular weight of 176.26 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N-phenylpropanimidamide is sourced from PubChem (CID 155020037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).