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

C9H18N2 — CID 155463425

IUPAC2-methyl-N'-pentan-3-ylprop-2-enimidamide
SMILESC=C(C)/C(N)=N\C(CC)CC
InChIInChI=1S/C9H18N2/c1-5-8(6-2)11-9(10)7(3)4/h8H,3,5-6H2,1-2,4H3,(H2,10,11)
InChIKeyKQNNFQPFMSMYDH-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.11
Rot. Bonds4

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

2-methyl-N'-pentan-3-ylprop-2-enimidamide (PubChem CID 155463425) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-methyl-N'-pentan-3-ylprop-2-enimidamide.

Molecular Properties

Compound Name2-methyl-N'-pentan-3-ylprop-2-enimidamide
PubChem CID155463425
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-methyl-N'-pentan-3-ylprop-2-enimidamide
SMILESC=C(C)/C(N)=N\C(CC)CC
InChIInChI=1S/C9H18N2/c1-5-8(6-2)11-9(10)7(3)4/h8H,3,5-6H2,1-2,4H3,(H2,10,11)
InChIKeyKQNNFQPFMSMYDH-UHFFFAOYSA-N
XLogP2.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.11
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 2-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-pentan-3-ylprop-2-enimidamide?
The IUPAC name of 2-methyl-N'-pentan-3-ylprop-2-enimidamide (CID 155463425) is 2-methyl-N'-pentan-3-ylprop-2-enimidamide.
What is the SMILES notation for 2-methyl-N'-pentan-3-ylprop-2-enimidamide?
The canonical SMILES for 2-methyl-N'-pentan-3-ylprop-2-enimidamide is C=C(C)/C(N)=N\C(CC)CC.
What is the InChIKey of 2-methyl-N'-pentan-3-ylprop-2-enimidamide?
The InChIKey is KQNNFQPFMSMYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-8(6-2)11-9(10)7(3)4/h8H,3,5-6H2,1-2,4H3,(H2,10,11).
What are the key properties of 2-methyl-N'-pentan-3-ylprop-2-enimidamide?
2-methyl-N'-pentan-3-ylprop-2-enimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-pentan-3-ylprop-2-enimidamide is sourced from PubChem (CID 155463425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).