N,N-diethylpropanimidamide

C7H16N2 — CID 13109962

IUPACN,N-diethylpropanimidamide
SMILES[H]/N=C(\CC)N(CC)CC
InChIInChI=1S/C7H16N2/c1-4-7(8)9(5-2)6-3/h8H,4-6H2,1-3H3/b8-7+
InChIKeyKCIXJSPXBFPFGZ-BQYQJAHWSA-N
MW128.22 g/mol
LogP1.72
Rot. Bonds3

About N,N-diethylpropanimidamide

N,N-diethylpropanimidamide (PubChem CID 13109962) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N,N-diethylpropanimidamide.

Molecular Properties

Compound NameN,N-diethylpropanimidamide
PubChem CID13109962
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN,N-diethylpropanimidamide
SMILES[H]/N=C(\CC)N(CC)CC
InChIInChI=1S/C7H16N2/c1-4-7(8)9(5-2)6-3/h8H,4-6H2,1-3H3/b8-7+
InChIKeyKCIXJSPXBFPFGZ-BQYQJAHWSA-N
XLogP1.72
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.72
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'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylpropanimidamide?
The IUPAC name of N,N-diethylpropanimidamide (CID 13109962) is N,N-diethylpropanimidamide.
What is the SMILES notation for N,N-diethylpropanimidamide?
The canonical SMILES for N,N-diethylpropanimidamide is [H]/N=C(\CC)N(CC)CC.
What is the InChIKey of N,N-diethylpropanimidamide?
The InChIKey is KCIXJSPXBFPFGZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H16N2/c1-4-7(8)9(5-2)6-3/h8H,4-6H2,1-3H3/b8-7+.
What are the key properties of N,N-diethylpropanimidamide?
N,N-diethylpropanimidamide has a molecular weight of 128.22 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylpropanimidamide is sourced from PubChem (CID 13109962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).