N,N'-ditert-butyl-3,3-dimethylbutanimidamide

C14H30N2 — CID 3485310

IUPACN,N'-ditert-butyl-3,3-dimethylbutanimidamide
SMILESCC(C)(C)C/C(=N\C(C)(C)C)NC(C)(C)C
InChIInChI=1S/C14H30N2/c1-12(2,3)10-11(15-13(4,5)6)16-14(7,8)9/h10H2,1-9H3,(H,15,16)
InChIKeyLLVKNPMHAOENMY-UHFFFAOYSA-N
MW226.41 g/mol
LogP4.01
Rot. Bonds1

About N,N'-ditert-butyl-3,3-dimethylbutanimidamide

N,N'-ditert-butyl-3,3-dimethylbutanimidamide (PubChem CID 3485310) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N,N'-ditert-butyl-3,3-dimethylbutanimidamide.

Molecular Properties

Compound NameN,N'-ditert-butyl-3,3-dimethylbutanimidamide
PubChem CID3485310
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN,N'-ditert-butyl-3,3-dimethylbutanimidamide
SMILESCC(C)(C)C/C(=N\C(C)(C)C)NC(C)(C)C
InChIInChI=1S/C14H30N2/c1-12(2,3)10-11(15-13(4,5)6)16-14(7,8)9/h10H2,1-9H3,(H,15,16)
InChIKeyLLVKNPMHAOENMY-UHFFFAOYSA-N
XLogP4.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 54.01
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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Frequently Asked Questions

What is the IUPAC name of N,N'-ditert-butyl-3,3-dimethylbutanimidamide?
The IUPAC name of N,N'-ditert-butyl-3,3-dimethylbutanimidamide (CID 3485310) is N,N'-ditert-butyl-3,3-dimethylbutanimidamide.
What is the SMILES notation for N,N'-ditert-butyl-3,3-dimethylbutanimidamide?
The canonical SMILES for N,N'-ditert-butyl-3,3-dimethylbutanimidamide is CC(C)(C)C/C(=N\C(C)(C)C)NC(C)(C)C.
What is the InChIKey of N,N'-ditert-butyl-3,3-dimethylbutanimidamide?
The InChIKey is LLVKNPMHAOENMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2,3)10-11(15-13(4,5)6)16-14(7,8)9/h10H2,1-9H3,(H,15,16).
What are the key properties of N,N'-ditert-butyl-3,3-dimethylbutanimidamide?
N,N'-ditert-butyl-3,3-dimethylbutanimidamide has a molecular weight of 226.41 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-ditert-butyl-3,3-dimethylbutanimidamide is sourced from PubChem (CID 3485310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).