N'-tert-butyl-N,N-dibutylmethanimidamide

C13H28N2 — CID 86026486

IUPACN'-tert-butyl-N,N-dibutylmethanimidamide
SMILESCCCCN(/C=N/C(C)(C)C)CCCC
InChIInChI=1S/C13H28N2/c1-6-8-10-15(11-9-7-2)12-14-13(3,4)5/h12H,6-11H2,1-5H3/b14-12+
InChIKeyCNDADJBJGINLOT-WYMLVPIESA-N
MW212.38 g/mol
LogP3.72
Rot. Bonds7

About N'-tert-butyl-N,N-dibutylmethanimidamide

N'-tert-butyl-N,N-dibutylmethanimidamide (PubChem CID 86026486) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-tert-butyl-N,N-dibutylmethanimidamide.

Molecular Properties

Compound NameN'-tert-butyl-N,N-dibutylmethanimidamide
PubChem CID86026486
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-tert-butyl-N,N-dibutylmethanimidamide
SMILESCCCCN(/C=N/C(C)(C)C)CCCC
InChIInChI=1S/C13H28N2/c1-6-8-10-15(11-9-7-2)12-14-13(3,4)5/h12H,6-11H2,1-5H3/b14-12+
InChIKeyCNDADJBJGINLOT-WYMLVPIESA-N
XLogP3.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 53.72
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'-tert-butyl-N,N-dibutylmethanimidamide?
The IUPAC name of N'-tert-butyl-N,N-dibutylmethanimidamide (CID 86026486) is N'-tert-butyl-N,N-dibutylmethanimidamide.
What is the SMILES notation for N'-tert-butyl-N,N-dibutylmethanimidamide?
The canonical SMILES for N'-tert-butyl-N,N-dibutylmethanimidamide is CCCCN(/C=N/C(C)(C)C)CCCC.
What is the InChIKey of N'-tert-butyl-N,N-dibutylmethanimidamide?
The InChIKey is CNDADJBJGINLOT-WYMLVPIESA-N. The full InChI is InChI=1S/C13H28N2/c1-6-8-10-15(11-9-7-2)12-14-13(3,4)5/h12H,6-11H2,1-5H3/b14-12+.
What are the key properties of N'-tert-butyl-N,N-dibutylmethanimidamide?
N'-tert-butyl-N,N-dibutylmethanimidamide has a molecular weight of 212.38 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N,N-dibutylmethanimidamide is sourced from PubChem (CID 86026486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).