N'-tert-butyl-2-(ethylamino)ethanimidamide

C8H19N3 — CID 89014107

IUPACN'-tert-butyl-2-(ethylamino)ethanimidamide
SMILESCCNC/C(N)=N/C(C)(C)C
InChIInChI=1S/C8H19N3/c1-5-10-6-7(9)11-8(2,3)4/h10H,5-6H2,1-4H3,(H2,9,11)
InChIKeyDCUPOGCCAJOVHC-UHFFFAOYSA-N
MW157.26 g/mol
LogP0.75
Rot. Bonds3

About N'-tert-butyl-2-(ethylamino)ethanimidamide

N'-tert-butyl-2-(ethylamino)ethanimidamide (PubChem CID 89014107) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is N'-tert-butyl-2-(ethylamino)ethanimidamide.

Molecular Properties

Compound NameN'-tert-butyl-2-(ethylamino)ethanimidamide
PubChem CID89014107
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC NameN'-tert-butyl-2-(ethylamino)ethanimidamide
SMILESCCNC/C(N)=N/C(C)(C)C
InChIInChI=1S/C8H19N3/c1-5-10-6-7(9)11-8(2,3)4/h10H,5-6H2,1-4H3,(H2,9,11)
InChIKeyDCUPOGCCAJOVHC-UHFFFAOYSA-N
XLogP0.75
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-2-(ethylamino)ethanimidamide?
The IUPAC name of N'-tert-butyl-2-(ethylamino)ethanimidamide (CID 89014107) is N'-tert-butyl-2-(ethylamino)ethanimidamide.
What is the SMILES notation for N'-tert-butyl-2-(ethylamino)ethanimidamide?
The canonical SMILES for N'-tert-butyl-2-(ethylamino)ethanimidamide is CCNC/C(N)=N/C(C)(C)C.
What is the InChIKey of N'-tert-butyl-2-(ethylamino)ethanimidamide?
The InChIKey is DCUPOGCCAJOVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-5-10-6-7(9)11-8(2,3)4/h10H,5-6H2,1-4H3,(H2,9,11).
What are the key properties of N'-tert-butyl-2-(ethylamino)ethanimidamide?
N'-tert-butyl-2-(ethylamino)ethanimidamide has a molecular weight of 157.26 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2-(ethylamino)ethanimidamide is sourced from PubChem (CID 89014107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).