N'-butan-2-yl-N-propan-2-ylethanimidamide

C9H20N2 — CID 86038990

IUPACN'-butan-2-yl-N-propan-2-ylethanimidamide
SMILESCCC(C)/N=C(\C)NC(C)C
InChIInChI=1S/C9H20N2/c1-6-8(4)11-9(5)10-7(2)3/h7-8H,6H2,1-5H3,(H,10,11)
InChIKeySTTKYPDAHAGTLT-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.20
Rot. Bonds3

About N'-butan-2-yl-N-propan-2-ylethanimidamide

N'-butan-2-yl-N-propan-2-ylethanimidamide (PubChem CID 86038990) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N'-butan-2-yl-N-propan-2-ylethanimidamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-propan-2-ylethanimidamide
PubChem CID86038990
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN'-butan-2-yl-N-propan-2-ylethanimidamide
SMILESCCC(C)/N=C(\C)NC(C)C
InChIInChI=1S/C9H20N2/c1-6-8(4)11-9(5)10-7(2)3/h7-8H,6H2,1-5H3,(H,10,11)
InChIKeySTTKYPDAHAGTLT-UHFFFAOYSA-N
XLogP2.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-butan-2-yl-N-propan-2-ylethanimidamide 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'-butan-2-yl-N-propan-2-ylethanimidamide?
The IUPAC name of N'-butan-2-yl-N-propan-2-ylethanimidamide (CID 86038990) is N'-butan-2-yl-N-propan-2-ylethanimidamide.
What is the SMILES notation for N'-butan-2-yl-N-propan-2-ylethanimidamide?
The canonical SMILES for N'-butan-2-yl-N-propan-2-ylethanimidamide is CCC(C)/N=C(\C)NC(C)C.
What is the InChIKey of N'-butan-2-yl-N-propan-2-ylethanimidamide?
The InChIKey is STTKYPDAHAGTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-6-8(4)11-9(5)10-7(2)3/h7-8H,6H2,1-5H3,(H,10,11).
What are the key properties of N'-butan-2-yl-N-propan-2-ylethanimidamide?
N'-butan-2-yl-N-propan-2-ylethanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-propan-2-ylethanimidamide is sourced from PubChem (CID 86038990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).