N-butyl-N,N'-dimethylethanimidamide

C8H18N2 — CID 23565352

IUPACN-butyl-N,N'-dimethylethanimidamide
SMILESCCCCN(C)/C(C)=N/C
InChIInChI=1S/C8H18N2/c1-5-6-7-10(4)8(2)9-3/h5-7H2,1-4H3/b9-8+
InChIKeyFEVLBMFXIUMIGV-CMDGGOBGSA-N
MW142.25 g/mol
LogP1.77
Rot. Bonds3

About N-butyl-N,N'-dimethylethanimidamide

N-butyl-N,N'-dimethylethanimidamide (PubChem CID 23565352) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-butyl-N,N'-dimethylethanimidamide.

Molecular Properties

Compound NameN-butyl-N,N'-dimethylethanimidamide
PubChem CID23565352
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-butyl-N,N'-dimethylethanimidamide
SMILESCCCCN(C)/C(C)=N/C
InChIInChI=1S/C8H18N2/c1-5-6-7-10(4)8(2)9-3/h5-7H2,1-4H3/b9-8+
InChIKeyFEVLBMFXIUMIGV-CMDGGOBGSA-N
XLogP1.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.77
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-butyl-N,N'-dimethylethanimidamide 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-butyl-N,N'-dimethylethanimidamide?
The IUPAC name of N-butyl-N,N'-dimethylethanimidamide (CID 23565352) is N-butyl-N,N'-dimethylethanimidamide.
What is the SMILES notation for N-butyl-N,N'-dimethylethanimidamide?
The canonical SMILES for N-butyl-N,N'-dimethylethanimidamide is CCCCN(C)/C(C)=N/C.
What is the InChIKey of N-butyl-N,N'-dimethylethanimidamide?
The InChIKey is FEVLBMFXIUMIGV-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H18N2/c1-5-6-7-10(4)8(2)9-3/h5-7H2,1-4H3/b9-8+.
What are the key properties of N-butyl-N,N'-dimethylethanimidamide?
N-butyl-N,N'-dimethylethanimidamide has a molecular weight of 142.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,N'-dimethylethanimidamide is sourced from PubChem (CID 23565352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).