3-phenyl-N,N'-di(propan-2-yl)propanimidamide

C15H24N2 — CID 102264756

IUPAC3-phenyl-N,N'-di(propan-2-yl)propanimidamide
SMILESCC(C)/N=C(/CCc1ccccc1)NC(C)C
InChIInChI=1S/C15H24N2/c1-12(2)16-15(17-13(3)4)11-10-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3,(H,16,17)
InChIKeyZVZBGSRBEVQVKM-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.42
Rot. Bonds5

About 3-phenyl-N,N'-di(propan-2-yl)propanimidamide

3-phenyl-N,N'-di(propan-2-yl)propanimidamide (PubChem CID 102264756) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-phenyl-N,N'-di(propan-2-yl)propanimidamide.

Molecular Properties

Compound Name3-phenyl-N,N'-di(propan-2-yl)propanimidamide
PubChem CID102264756
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-phenyl-N,N'-di(propan-2-yl)propanimidamide
SMILESCC(C)/N=C(/CCc1ccccc1)NC(C)C
InChIInChI=1S/C15H24N2/c1-12(2)16-15(17-13(3)4)11-10-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3,(H,16,17)
InChIKeyZVZBGSRBEVQVKM-UHFFFAOYSA-N
XLogP3.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.42
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-ethyl-N'-methyl-3-phenylpropanimidamide
CID 15880904
1-amino-2-(2-phenylethyl)-3-propan-2-ylguanidine
CID 116512281
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
2-phenylethyl N-propan-2-ylcarbamate
CID 23548887
1-phenyl-2,3-di(propan-2-yl)guanidine
CID 11226187
methyl 4-methylpentanoate;methyl 3-phenylpropanoate
CID 174923229
2-(methylamino)-N,N'-di(propan-2-yl)ethanimidamide
CID 101496676
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N-(1,4-diphenylpentan-3-ylidene)hydroxylamine
CID 71320973
4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide
CID 160985746
N'-butyl-N-ethyl-3-phenylpropanimidamide
CID 15880906
2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide
CID 93035071

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N,N'-di(propan-2-yl)propanimidamide?
The IUPAC name of 3-phenyl-N,N'-di(propan-2-yl)propanimidamide (CID 102264756) is 3-phenyl-N,N'-di(propan-2-yl)propanimidamide.
What is the SMILES notation for 3-phenyl-N,N'-di(propan-2-yl)propanimidamide?
The canonical SMILES for 3-phenyl-N,N'-di(propan-2-yl)propanimidamide is CC(C)/N=C(/CCc1ccccc1)NC(C)C.
What is the InChIKey of 3-phenyl-N,N'-di(propan-2-yl)propanimidamide?
The InChIKey is ZVZBGSRBEVQVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(2)16-15(17-13(3)4)11-10-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3,(H,16,17).
What are the key properties of 3-phenyl-N,N'-di(propan-2-yl)propanimidamide?
3-phenyl-N,N'-di(propan-2-yl)propanimidamide has a molecular weight of 232.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N,N'-di(propan-2-yl)propanimidamide is sourced from PubChem (CID 102264756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).