N'-tert-butyl-N,N-di(propan-2-yl)ethanimidamide

C12H26N2 — CID 58320141

IUPACN'-tert-butyl-N,N-di(propan-2-yl)ethanimidamide
SMILESC/C(=N\C(C)(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C12H26N2/c1-9(2)14(10(3)4)11(5)13-12(6,7)8/h9-10H,1-8H3/b13-11+
InChIKeyLQJNHADIHLPRTF-ACCUITESSA-N
MW198.35 g/mol
LogP3.32
Rot. Bonds2

About N'-tert-butyl-N,N-di(propan-2-yl)ethanimidamide

N'-tert-butyl-N,N-di(propan-2-yl)ethanimidamide (PubChem CID 58320141) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-tert-butyl-N,N-di(propan-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-tert-butyl-N,N-di(propan-2-yl)ethanimidamide
PubChem CID58320141
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-tert-butyl-N,N-di(propan-2-yl)ethanimidamide
SMILESC/C(=N\C(C)(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C12H26N2/c1-9(2)14(10(3)4)11(5)13-12(6,7)8/h9-10H,1-8H3/b13-11+
InChIKeyLQJNHADIHLPRTF-ACCUITESSA-N
XLogP3.32
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.32
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-di(propan-2-yl)ethanimidamide?
The IUPAC name of N'-tert-butyl-N,N-di(propan-2-yl)ethanimidamide (CID 58320141) is N'-tert-butyl-N,N-di(propan-2-yl)ethanimidamide.
What is the SMILES notation for N'-tert-butyl-N,N-di(propan-2-yl)ethanimidamide?
The canonical SMILES for N'-tert-butyl-N,N-di(propan-2-yl)ethanimidamide is C/C(=N\C(C)(C)C)N(C(C)C)C(C)C.
What is the InChIKey of N'-tert-butyl-N,N-di(propan-2-yl)ethanimidamide?
The InChIKey is LQJNHADIHLPRTF-ACCUITESSA-N. The full InChI is InChI=1S/C12H26N2/c1-9(2)14(10(3)4)11(5)13-12(6,7)8/h9-10H,1-8H3/b13-11+.
What are the key properties of N'-tert-butyl-N,N-di(propan-2-yl)ethanimidamide?
N'-tert-butyl-N,N-di(propan-2-yl)ethanimidamide has a molecular weight of 198.35 g/mol, XLogP of 3.32, 2 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-di(propan-2-yl)ethanimidamide is sourced from PubChem (CID 58320141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).