N'-tert-butyl-N-methyl-N-propan-2-ylethanimidamide

C10H22N2 — CID 59999857

IUPACN'-tert-butyl-N-methyl-N-propan-2-ylethanimidamide
SMILESC/C(=N\C(C)(C)C)N(C)C(C)C
InChIInChI=1S/C10H22N2/c1-8(2)12(7)9(3)11-10(4,5)6/h8H,1-7H3/b11-9+
InChIKeyOFXWZYRVFIPJRN-PKNBQFBNSA-N
MW170.30 g/mol
LogP2.54
Rot. Bonds1

About N'-tert-butyl-N-methyl-N-propan-2-ylethanimidamide

N'-tert-butyl-N-methyl-N-propan-2-ylethanimidamide (PubChem CID 59999857) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N'-tert-butyl-N-methyl-N-propan-2-ylethanimidamide.

Molecular Properties

Compound NameN'-tert-butyl-N-methyl-N-propan-2-ylethanimidamide
PubChem CID59999857
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN'-tert-butyl-N-methyl-N-propan-2-ylethanimidamide
SMILESC/C(=N\C(C)(C)C)N(C)C(C)C
InChIInChI=1S/C10H22N2/c1-8(2)12(7)9(3)11-10(4,5)6/h8H,1-7H3/b11-9+
InChIKeyOFXWZYRVFIPJRN-PKNBQFBNSA-N
XLogP2.54
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.54
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-methyl-N-propan-2-ylethanimidamide?
The IUPAC name of N'-tert-butyl-N-methyl-N-propan-2-ylethanimidamide (CID 59999857) is N'-tert-butyl-N-methyl-N-propan-2-ylethanimidamide.
What is the SMILES notation for N'-tert-butyl-N-methyl-N-propan-2-ylethanimidamide?
The canonical SMILES for N'-tert-butyl-N-methyl-N-propan-2-ylethanimidamide is C/C(=N\C(C)(C)C)N(C)C(C)C.
What is the InChIKey of N'-tert-butyl-N-methyl-N-propan-2-ylethanimidamide?
The InChIKey is OFXWZYRVFIPJRN-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H22N2/c1-8(2)12(7)9(3)11-10(4,5)6/h8H,1-7H3/b11-9+.
What are the key properties of N'-tert-butyl-N-methyl-N-propan-2-ylethanimidamide?
N'-tert-butyl-N-methyl-N-propan-2-ylethanimidamide has a molecular weight of 170.30 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-methyl-N-propan-2-ylethanimidamide is sourced from PubChem (CID 59999857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).