N'-[(E)-2-methyl-1-[4-(methylamino)butan-2-ylamino]hex-1-en-3-yl]methanimidamide

C13H28N4 — CID 118973415

IUPACN'-[(E)-2-methyl-1-[4-(methylamino)butan-2-ylamino]hex-1-en-3-yl]methanimidamide
SMILESCCCC(/N=C/N)/C(C)=C/NC(C)CCNC
InChIInChI=1S/C13H28N4/c1-5-6-13(17-10-14)11(2)9-16-12(3)7-8-15-4/h9-10,12-13,15-16H,5-8H2,1-4H3,(H2,14,17)/b11-9+
InChIKeyVPXLORNINHTYNF-PKNBQFBNSA-N
MW240.39 g/mol
LogP1.63
Rot. Bonds9

About N'-[(E)-2-methyl-1-[4-(methylamino)butan-2-ylamino]hex-1-en-3-yl]methanimidamide

N'-[(E)-2-methyl-1-[4-(methylamino)butan-2-ylamino]hex-1-en-3-yl]methanimidamide (PubChem CID 118973415) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is N'-[(E)-2-methyl-1-[4-(methylamino)butan-2-ylamino]hex-1-en-3-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-methyl-1-[4-(methylamino)butan-2-ylamino]hex-1-en-3-yl]methanimidamide
PubChem CID118973415
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC NameN'-[(E)-2-methyl-1-[4-(methylamino)butan-2-ylamino]hex-1-en-3-yl]methanimidamide
SMILESCCCC(/N=C/N)/C(C)=C/NC(C)CCNC
InChIInChI=1S/C13H28N4/c1-5-6-13(17-10-14)11(2)9-16-12(3)7-8-15-4/h9-10,12-13,15-16H,5-8H2,1-4H3,(H2,14,17)/b11-9+
InChIKeyVPXLORNINHTYNF-PKNBQFBNSA-N
XLogP1.63
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[(E)-2-methyl-1-[4-(methylamino)butan-2-ylamino]hex-1-en-3-yl]methanimidamide 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)-2-methyl-1-[4-(methylamino)butan-2-ylamino]hex-1-en-3-yl]methanimidamide?
The IUPAC name of N'-[(E)-2-methyl-1-[4-(methylamino)butan-2-ylamino]hex-1-en-3-yl]methanimidamide (CID 118973415) is N'-[(E)-2-methyl-1-[4-(methylamino)butan-2-ylamino]hex-1-en-3-yl]methanimidamide.
What is the SMILES notation for N'-[(E)-2-methyl-1-[4-(methylamino)butan-2-ylamino]hex-1-en-3-yl]methanimidamide?
The canonical SMILES for N'-[(E)-2-methyl-1-[4-(methylamino)butan-2-ylamino]hex-1-en-3-yl]methanimidamide is CCCC(/N=C/N)/C(C)=C/NC(C)CCNC.
What is the InChIKey of N'-[(E)-2-methyl-1-[4-(methylamino)butan-2-ylamino]hex-1-en-3-yl]methanimidamide?
The InChIKey is VPXLORNINHTYNF-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H28N4/c1-5-6-13(17-10-14)11(2)9-16-12(3)7-8-15-4/h9-10,12-13,15-16H,5-8H2,1-4H3,(H2,14,17)/b11-9+.
What are the key properties of N'-[(E)-2-methyl-1-[4-(methylamino)butan-2-ylamino]hex-1-en-3-yl]methanimidamide?
N'-[(E)-2-methyl-1-[4-(methylamino)butan-2-ylamino]hex-1-en-3-yl]methanimidamide has a molecular weight of 240.39 g/mol, XLogP of 1.63, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-methyl-1-[4-(methylamino)butan-2-ylamino]hex-1-en-3-yl]methanimidamide is sourced from PubChem (CID 118973415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).