N-butyl-N'-ethenyl-N-methylethanimidamide

C9H18N2 — CID 123167564

IUPACN-butyl-N'-ethenyl-N-methylethanimidamide
SMILESC=C/N=C(\C)N(C)CCCC
InChIInChI=1S/C9H18N2/c1-5-7-8-11(4)9(3)10-6-2/h6H,2,5,7-8H2,1,3-4H3/b10-9+
InChIKeyHYJMDYOWAMFXKE-MDZDMXLPSA-N
MW154.26 g/mol
LogP2.28
Rot. Bonds4

About N-butyl-N'-ethenyl-N-methylethanimidamide

N-butyl-N'-ethenyl-N-methylethanimidamide (PubChem CID 123167564) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-butyl-N'-ethenyl-N-methylethanimidamide.

Molecular Properties

Compound NameN-butyl-N'-ethenyl-N-methylethanimidamide
PubChem CID123167564
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-butyl-N'-ethenyl-N-methylethanimidamide
SMILESC=C/N=C(\C)N(C)CCCC
InChIInChI=1S/C9H18N2/c1-5-7-8-11(4)9(3)10-6-2/h6H,2,5,7-8H2,1,3-4H3/b10-9+
InChIKeyHYJMDYOWAMFXKE-MDZDMXLPSA-N
XLogP2.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.28
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'-ethenyl-N-methylethanimidamide 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'-ethenyl-N-methylethanimidamide?
The IUPAC name of N-butyl-N'-ethenyl-N-methylethanimidamide (CID 123167564) is N-butyl-N'-ethenyl-N-methylethanimidamide.
What is the SMILES notation for N-butyl-N'-ethenyl-N-methylethanimidamide?
The canonical SMILES for N-butyl-N'-ethenyl-N-methylethanimidamide is C=C/N=C(\C)N(C)CCCC.
What is the InChIKey of N-butyl-N'-ethenyl-N-methylethanimidamide?
The InChIKey is HYJMDYOWAMFXKE-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-7-8-11(4)9(3)10-6-2/h6H,2,5,7-8H2,1,3-4H3/b10-9+.
What are the key properties of N-butyl-N'-ethenyl-N-methylethanimidamide?
N-butyl-N'-ethenyl-N-methylethanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-ethenyl-N-methylethanimidamide is sourced from PubChem (CID 123167564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).