N,N-diethylpentanimidamide

C9H20N2 — CID 45277197

IUPACN,N-diethylpentanimidamide
SMILES[H]/N=C(\CCCC)N(CC)CC
InChIInChI=1S/C9H20N2/c1-4-7-8-9(10)11(5-2)6-3/h10H,4-8H2,1-3H3/b10-9+
InChIKeyLEZMCZLEOQMFMD-MDZDMXLPSA-N
MW156.27 g/mol
LogP2.50
Rot. Bonds5

About N,N-diethylpentanimidamide

N,N-diethylpentanimidamide (PubChem CID 45277197) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N,N-diethylpentanimidamide.

Molecular Properties

Compound NameN,N-diethylpentanimidamide
PubChem CID45277197
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN,N-diethylpentanimidamide
SMILES[H]/N=C(\CCCC)N(CC)CC
InChIInChI=1S/C9H20N2/c1-4-7-8-9(10)11(5-2)6-3/h10H,4-8H2,1-3H3/b10-9+
InChIKeyLEZMCZLEOQMFMD-MDZDMXLPSA-N
XLogP2.50
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.50
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 N,N-diethylpentanimidamide 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,N-diethylpentanimidamide?
The IUPAC name of N,N-diethylpentanimidamide (CID 45277197) is N,N-diethylpentanimidamide.
What is the SMILES notation for N,N-diethylpentanimidamide?
The canonical SMILES for N,N-diethylpentanimidamide is [H]/N=C(\CCCC)N(CC)CC.
What is the InChIKey of N,N-diethylpentanimidamide?
The InChIKey is LEZMCZLEOQMFMD-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-7-8-9(10)11(5-2)6-3/h10H,4-8H2,1-3H3/b10-9+.
What are the key properties of N,N-diethylpentanimidamide?
N,N-diethylpentanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylpentanimidamide is sourced from PubChem (CID 45277197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).