N'-(2-aminoethyl)-N-tert-butylethanimidamide

C8H19N3 — CID 57179050

IUPACN'-(2-aminoethyl)-N-tert-butylethanimidamide
SMILESC/C(=N\CCN)NC(C)(C)C
InChIInChI=1S/C8H19N3/c1-7(10-6-5-9)11-8(2,3)4/h5-6,9H2,1-4H3,(H,10,11)
InChIKeyZOCPRAKSTJFBFI-UHFFFAOYSA-N
MW157.26 g/mol
LogP0.75
Rot. Bonds2

About N'-(2-aminoethyl)-N-tert-butylethanimidamide

N'-(2-aminoethyl)-N-tert-butylethanimidamide (PubChem CID 57179050) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N-tert-butylethanimidamide.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N-tert-butylethanimidamide
PubChem CID57179050
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC NameN'-(2-aminoethyl)-N-tert-butylethanimidamide
SMILESC/C(=N\CCN)NC(C)(C)C
InChIInChI=1S/C8H19N3/c1-7(10-6-5-9)11-8(2,3)4/h5-6,9H2,1-4H3,(H,10,11)
InChIKeyZOCPRAKSTJFBFI-UHFFFAOYSA-N
XLogP0.75
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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'}

Analyze N'-(2-aminoethyl)-N-tert-butylethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N-tert-butylethanimidamide?
The IUPAC name of N'-(2-aminoethyl)-N-tert-butylethanimidamide (CID 57179050) is N'-(2-aminoethyl)-N-tert-butylethanimidamide.
What is the SMILES notation for N'-(2-aminoethyl)-N-tert-butylethanimidamide?
The canonical SMILES for N'-(2-aminoethyl)-N-tert-butylethanimidamide is C/C(=N\CCN)NC(C)(C)C.
What is the InChIKey of N'-(2-aminoethyl)-N-tert-butylethanimidamide?
The InChIKey is ZOCPRAKSTJFBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-7(10-6-5-9)11-8(2,3)4/h5-6,9H2,1-4H3,(H,10,11).
What are the key properties of N'-(2-aminoethyl)-N-tert-butylethanimidamide?
N'-(2-aminoethyl)-N-tert-butylethanimidamide has a molecular weight of 157.26 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N-tert-butylethanimidamide is sourced from PubChem (CID 57179050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).