N-ethyl-N'-methyl-3-phenylpropanimidamide

C12H18N2 — CID 15880904

IUPACN-ethyl-N'-methyl-3-phenylpropanimidamide
SMILESCCN/C(CCc1ccccc1)=N\C
InChIInChI=1S/C12H18N2/c1-3-14-12(13-2)10-9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,13,14)
InChIKeyVXYYZQVKHHVWKR-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.26
Rot. Bonds4

About N-ethyl-N'-methyl-3-phenylpropanimidamide

N-ethyl-N'-methyl-3-phenylpropanimidamide (PubChem CID 15880904) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-ethyl-N'-methyl-3-phenylpropanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-methyl-3-phenylpropanimidamide
PubChem CID15880904
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-ethyl-N'-methyl-3-phenylpropanimidamide
SMILESCCN/C(CCc1ccccc1)=N\C
InChIInChI=1S/C12H18N2/c1-3-14-12(13-2)10-9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,13,14)
InChIKeyVXYYZQVKHHVWKR-UHFFFAOYSA-N
XLogP2.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.26
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'-butyl-N-ethyl-3-phenylpropanimidamide
CID 15880906
1,3-diethyl-2-(2-phenylethyl)guanidine
CID 110913976
3-phenyl-N,N'-di(propan-2-yl)propanimidamide
CID 102264756
carbanide;3-N,4-N-dimethyl-1-phenylhexane-3,4-diimine;palladium(2+);chloride
CID 10237263
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
N-ethyl-6-phenylhexanamide
CID 70953257
1-amino-3-ethyl-2-(2-phenylethyl)guanidine
CID 116512277
N-amino-N'-methyl-2-phenylethanimidamide
CID 15751724
propylbenzene;hydrobromide
CID 70024036
propylbenzene tetraiodide
CID 23321652
carbanide;chloropalladium(1+);dichloromethane;bis(3-N,4-N-dimethyl-1-phenylhexane-3,4-diimine)
CID 161150276
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-3-phenylpropanimidamide?
The IUPAC name of N-ethyl-N'-methyl-3-phenylpropanimidamide (CID 15880904) is N-ethyl-N'-methyl-3-phenylpropanimidamide.
What is the SMILES notation for N-ethyl-N'-methyl-3-phenylpropanimidamide?
The canonical SMILES for N-ethyl-N'-methyl-3-phenylpropanimidamide is CCN/C(CCc1ccccc1)=N\C.
What is the InChIKey of N-ethyl-N'-methyl-3-phenylpropanimidamide?
The InChIKey is VXYYZQVKHHVWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-14-12(13-2)10-9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-N'-methyl-3-phenylpropanimidamide?
N-ethyl-N'-methyl-3-phenylpropanimidamide has a molecular weight of 190.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-3-phenylpropanimidamide is sourced from PubChem (CID 15880904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).