N-tert-butyl-N'-butylethanimidamide

C10H22N2 — CID 164879261

IUPACN-tert-butyl-N'-butylethanimidamide
SMILESCCCC/N=C(\C)NC(C)(C)C
InChIInChI=1S/C10H22N2/c1-6-7-8-11-9(2)12-10(3,4)5/h6-8H2,1-5H3,(H,11,12)
InChIKeyRILFJWRIFRDUDV-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.59
Rot. Bonds3

About N-tert-butyl-N'-butylethanimidamide

N-tert-butyl-N'-butylethanimidamide (PubChem CID 164879261) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-tert-butyl-N'-butylethanimidamide.

Molecular Properties

Compound NameN-tert-butyl-N'-butylethanimidamide
PubChem CID164879261
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-tert-butyl-N'-butylethanimidamide
SMILESCCCC/N=C(\C)NC(C)(C)C
InChIInChI=1S/C10H22N2/c1-6-7-8-11-9(2)12-10(3,4)5/h6-8H2,1-5H3,(H,11,12)
InChIKeyRILFJWRIFRDUDV-UHFFFAOYSA-N
XLogP2.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-butylethanimidamide?
The IUPAC name of N-tert-butyl-N'-butylethanimidamide (CID 164879261) is N-tert-butyl-N'-butylethanimidamide.
What is the SMILES notation for N-tert-butyl-N'-butylethanimidamide?
The canonical SMILES for N-tert-butyl-N'-butylethanimidamide is CCCC/N=C(\C)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-butylethanimidamide?
The InChIKey is RILFJWRIFRDUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-6-7-8-11-9(2)12-10(3,4)5/h6-8H2,1-5H3,(H,11,12).
What are the key properties of N-tert-butyl-N'-butylethanimidamide?
N-tert-butyl-N'-butylethanimidamide has a molecular weight of 170.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-butylethanimidamide is sourced from PubChem (CID 164879261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).