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

C17H28N2 — CID 13015490

IUPAC2,2-dimethyl-N'-phenyl-N,N-di(propan-2-yl)propanimidamide
SMILESCC(C)N(/C(=N/c1ccccc1)C(C)(C)C)C(C)C
InChIInChI=1S/C17H28N2/c1-13(2)19(14(3)4)16(17(5,6)7)18-15-11-9-8-10-12-15/h8-14H,1-7H3/b18-16+
InChIKeyGFMVACFFLFQILW-FBMGVBCBSA-N
MW260.42 g/mol
LogP4.88
Rot. Bonds3

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

2,2-dimethyl-N'-phenyl-N,N-di(propan-2-yl)propanimidamide (PubChem CID 13015490) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2,2-dimethyl-N'-phenyl-N,N-di(propan-2-yl)propanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-N'-phenyl-N,N-di(propan-2-yl)propanimidamide
PubChem CID13015490
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name2,2-dimethyl-N'-phenyl-N,N-di(propan-2-yl)propanimidamide
SMILESCC(C)N(/C(=N/c1ccccc1)C(C)(C)C)C(C)C
InChIInChI=1S/C17H28N2/c1-13(2)19(14(3)4)16(17(5,6)7)18-15-11-9-8-10-12-15/h8-14H,1-7H3/b18-16+
InChIKeyGFMVACFFLFQILW-FBMGVBCBSA-N
XLogP4.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.88
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 2,2-dimethyl-N'-phenyl-N,N-di(propan-2-yl)propanimidamide?
The IUPAC name of 2,2-dimethyl-N'-phenyl-N,N-di(propan-2-yl)propanimidamide (CID 13015490) is 2,2-dimethyl-N'-phenyl-N,N-di(propan-2-yl)propanimidamide.
What is the SMILES notation for 2,2-dimethyl-N'-phenyl-N,N-di(propan-2-yl)propanimidamide?
The canonical SMILES for 2,2-dimethyl-N'-phenyl-N,N-di(propan-2-yl)propanimidamide is CC(C)N(/C(=N/c1ccccc1)C(C)(C)C)C(C)C.
What is the InChIKey of 2,2-dimethyl-N'-phenyl-N,N-di(propan-2-yl)propanimidamide?
The InChIKey is GFMVACFFLFQILW-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)19(14(3)4)16(17(5,6)7)18-15-11-9-8-10-12-15/h8-14H,1-7H3/b18-16+.
What are the key properties of 2,2-dimethyl-N'-phenyl-N,N-di(propan-2-yl)propanimidamide?
2,2-dimethyl-N'-phenyl-N,N-di(propan-2-yl)propanimidamide has a molecular weight of 260.42 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-phenyl-N,N-di(propan-2-yl)propanimidamide is sourced from PubChem (CID 13015490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).