N'-[(Z)-but-1-enyl]-N,N,2,2-tetramethylpropanimidamide

C11H22N2 — CID 138462131

IUPACN'-[(Z)-but-1-enyl]-N,N,2,2-tetramethylpropanimidamide
SMILESCC/C=C\N=C(/N(C)C)C(C)(C)C
InChIInChI=1S/C11H22N2/c1-7-8-9-12-10(13(5)6)11(2,3)4/h8-9H,7H2,1-6H3/b9-8-,12-10-
InChIKeyPMQFVNXJLBVWDG-DMGFJBLZSA-N
MW182.31 g/mol
LogP2.92
Rot. Bonds2

About N'-[(Z)-but-1-enyl]-N,N,2,2-tetramethylpropanimidamide

N'-[(Z)-but-1-enyl]-N,N,2,2-tetramethylpropanimidamide (PubChem CID 138462131) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N'-[(Z)-but-1-enyl]-N,N,2,2-tetramethylpropanimidamide.

Molecular Properties

Compound NameN'-[(Z)-but-1-enyl]-N,N,2,2-tetramethylpropanimidamide
PubChem CID138462131
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN'-[(Z)-but-1-enyl]-N,N,2,2-tetramethylpropanimidamide
SMILESCC/C=C\N=C(/N(C)C)C(C)(C)C
InChIInChI=1S/C11H22N2/c1-7-8-9-12-10(13(5)6)11(2,3)4/h8-9H,7H2,1-6H3/b9-8-,12-10-
InChIKeyPMQFVNXJLBVWDG-DMGFJBLZSA-N
XLogP2.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.92
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'}

Analyze N'-[(Z)-but-1-enyl]-N,N,2,2-tetramethylpropanimidamide 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'-[(Z)-but-1-enyl]-N,N,2,2-tetramethylpropanimidamide?
The IUPAC name of N'-[(Z)-but-1-enyl]-N,N,2,2-tetramethylpropanimidamide (CID 138462131) is N'-[(Z)-but-1-enyl]-N,N,2,2-tetramethylpropanimidamide.
What is the SMILES notation for N'-[(Z)-but-1-enyl]-N,N,2,2-tetramethylpropanimidamide?
The canonical SMILES for N'-[(Z)-but-1-enyl]-N,N,2,2-tetramethylpropanimidamide is CC/C=C\N=C(/N(C)C)C(C)(C)C.
What is the InChIKey of N'-[(Z)-but-1-enyl]-N,N,2,2-tetramethylpropanimidamide?
The InChIKey is PMQFVNXJLBVWDG-DMGFJBLZSA-N. The full InChI is InChI=1S/C11H22N2/c1-7-8-9-12-10(13(5)6)11(2,3)4/h8-9H,7H2,1-6H3/b9-8-,12-10-.
What are the key properties of N'-[(Z)-but-1-enyl]-N,N,2,2-tetramethylpropanimidamide?
N'-[(Z)-but-1-enyl]-N,N,2,2-tetramethylpropanimidamide has a molecular weight of 182.31 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-but-1-enyl]-N,N,2,2-tetramethylpropanimidamide is sourced from PubChem (CID 138462131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).