N,N-diethylbutanimidamide

C8H18N2 — CID 57106491

IUPACN,N-diethylbutanimidamide
SMILES[H]/N=C(\CCC)N(CC)CC
InChIInChI=1S/C8H18N2/c1-4-7-8(9)10(5-2)6-3/h9H,4-7H2,1-3H3/b9-8+
InChIKeyRFCZFRBWFIKGTJ-CMDGGOBGSA-N
MW142.25 g/mol
LogP2.11
Rot. Bonds4

About N,N-diethylbutanimidamide

N,N-diethylbutanimidamide (PubChem CID 57106491) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N,N-diethylbutanimidamide.

Molecular Properties

Compound NameN,N-diethylbutanimidamide
PubChem CID57106491
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN,N-diethylbutanimidamide
SMILES[H]/N=C(\CCC)N(CC)CC
InChIInChI=1S/C8H18N2/c1-4-7-8(9)10(5-2)6-3/h9H,4-7H2,1-3H3/b9-8+
InChIKeyRFCZFRBWFIKGTJ-CMDGGOBGSA-N
XLogP2.11
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
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'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylbutanimidamide?
The IUPAC name of N,N-diethylbutanimidamide (CID 57106491) is N,N-diethylbutanimidamide.
What is the SMILES notation for N,N-diethylbutanimidamide?
The canonical SMILES for N,N-diethylbutanimidamide is [H]/N=C(\CCC)N(CC)CC.
What is the InChIKey of N,N-diethylbutanimidamide?
The InChIKey is RFCZFRBWFIKGTJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-7-8(9)10(5-2)6-3/h9H,4-7H2,1-3H3/b9-8+.
What are the key properties of N,N-diethylbutanimidamide?
N,N-diethylbutanimidamide has a molecular weight of 142.25 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 N,N-diethylbutanimidamide is sourced from PubChem (CID 57106491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).