N'-[(E)-hex-3-en-3-yl]-N,N-dimethylmethanimidamide

C9H18N2 — CID 146510058

IUPACN'-[(E)-hex-3-en-3-yl]-N,N-dimethylmethanimidamide
SMILESCC/C=C(CC)/N=C/N(C)C
InChIInChI=1S/C9H18N2/c1-5-7-9(6-2)10-8-11(3)4/h7-8H,5-6H2,1-4H3/b9-7+,10-8+
InChIKeyZTKIALUAFXVMFZ-FIFLTTCUSA-N
MW154.26 g/mol
LogP2.28
Rot. Bonds4

About N'-[(E)-hex-3-en-3-yl]-N,N-dimethylmethanimidamide

N'-[(E)-hex-3-en-3-yl]-N,N-dimethylmethanimidamide (PubChem CID 146510058) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-[(E)-hex-3-en-3-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[(E)-hex-3-en-3-yl]-N,N-dimethylmethanimidamide
PubChem CID146510058
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN'-[(E)-hex-3-en-3-yl]-N,N-dimethylmethanimidamide
SMILESCC/C=C(CC)/N=C/N(C)C
InChIInChI=1S/C9H18N2/c1-5-7-9(6-2)10-8-11(3)4/h7-8H,5-6H2,1-4H3/b9-7+,10-8+
InChIKeyZTKIALUAFXVMFZ-FIFLTTCUSA-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'-[(E)-hex-3-en-3-yl]-N,N-dimethylmethanimidamide 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'-[(E)-hex-3-en-3-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[(E)-hex-3-en-3-yl]-N,N-dimethylmethanimidamide (CID 146510058) is N'-[(E)-hex-3-en-3-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[(E)-hex-3-en-3-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[(E)-hex-3-en-3-yl]-N,N-dimethylmethanimidamide is CC/C=C(CC)/N=C/N(C)C.
What is the InChIKey of N'-[(E)-hex-3-en-3-yl]-N,N-dimethylmethanimidamide?
The InChIKey is ZTKIALUAFXVMFZ-FIFLTTCUSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-7-9(6-2)10-8-11(3)4/h7-8H,5-6H2,1-4H3/b9-7+,10-8+.
What are the key properties of N'-[(E)-hex-3-en-3-yl]-N,N-dimethylmethanimidamide?
N'-[(E)-hex-3-en-3-yl]-N,N-dimethylmethanimidamide 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'-[(E)-hex-3-en-3-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 146510058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).