ethane;N'-methyl-N-pentan-3-ylprop-2-enimidamide

C11H24N2 — CID 143846720

IUPACethane;N'-methyl-N-pentan-3-ylprop-2-enimidamide
SMILESC=C/C(=N\C)NC(CC)CC.CC
InChIInChI=1S/C9H18N2.C2H6/c1-5-8(6-2)11-9(7-3)10-4;1-2/h7-8H,3,5-6H2,1-2,4H3,(H,10,11);1-2H3
InChIKeyZVPJPIKLQAGRBH-UHFFFAOYSA-N
MW184.33 g/mol
LogP3.01
Rot. Bonds4

About ethane;N'-methyl-N-pentan-3-ylprop-2-enimidamide

ethane;N'-methyl-N-pentan-3-ylprop-2-enimidamide (PubChem CID 143846720) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is ethane;N'-methyl-N-pentan-3-ylprop-2-enimidamide.

Molecular Properties

Compound Nameethane;N'-methyl-N-pentan-3-ylprop-2-enimidamide
PubChem CID143846720
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Nameethane;N'-methyl-N-pentan-3-ylprop-2-enimidamide
SMILESC=C/C(=N\C)NC(CC)CC.CC
InChIInChI=1S/C9H18N2.C2H6/c1-5-8(6-2)11-9(7-3)10-4;1-2/h7-8H,3,5-6H2,1-2,4H3,(H,10,11);1-2H3
InChIKeyZVPJPIKLQAGRBH-UHFFFAOYSA-N
XLogP3.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;N'-methyl-N-pentan-3-ylprop-2-enimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1E)-N,N'-Di(propan-2-yl)prop-2-enimidamide
CID 330685
N,N'-di(propan-2-yl)but-3-enimidamide
CID 134920311
(E)-N,N'-di(propan-2-yl)but-2-enimidamide
CID 21721177
N,N'-bis(prop-2-enyl)ethanimidamide
CID 11629618
2-ethenyl-5-methyl-4,5-dihydro-1H-imidazole
CID 20244290
N-propan-2-yl-N'-propylprop-2-enimidamide
CID 20344304
N,N'-bis(2-methylpropyl)prop-2-enimidamide
CID 21541742
N'-methyl-N-propan-2-ylprop-2-enimidamide
CID 21720545
N-pentyl-2H-pyrrol-5-amine
CID 67916644
N-propan-2-yl-N'-prop-2-enyl-3-(prop-2-enylamino)propanimidamide
CID 88113944
N-propan-2-yl-2H-pyrrol-5-amine
CID 89879696
N'-methyl-2-methylimino-N-pentan-3-ylbut-3-enimidamide
CID 91476468

Frequently Asked Questions

What is the IUPAC name of ethane;N'-methyl-N-pentan-3-ylprop-2-enimidamide?
The IUPAC name of ethane;N'-methyl-N-pentan-3-ylprop-2-enimidamide (CID 143846720) is ethane;N'-methyl-N-pentan-3-ylprop-2-enimidamide.
What is the SMILES notation for ethane;N'-methyl-N-pentan-3-ylprop-2-enimidamide?
The canonical SMILES for ethane;N'-methyl-N-pentan-3-ylprop-2-enimidamide is C=C/C(=N\C)NC(CC)CC.CC.
What is the InChIKey of ethane;N'-methyl-N-pentan-3-ylprop-2-enimidamide?
The InChIKey is ZVPJPIKLQAGRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C2H6/c1-5-8(6-2)11-9(7-3)10-4;1-2/h7-8H,3,5-6H2,1-2,4H3,(H,10,11);1-2H3.
What are the key properties of ethane;N'-methyl-N-pentan-3-ylprop-2-enimidamide?
ethane;N'-methyl-N-pentan-3-ylprop-2-enimidamide has a molecular weight of 184.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-methyl-N-pentan-3-ylprop-2-enimidamide is sourced from PubChem (CID 143846720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).