N,N'-dibutylethanimidamide

C10H22N2 — CID 11194584

IUPACN,N'-dibutylethanimidamide
SMILESCCCC/N=C(\C)NCCCC
InChIInChI=1S/C10H22N2/c1-4-6-8-11-10(3)12-9-7-5-2/h4-9H2,1-3H3,(H,11,12)
InChIKeyBSENPUMSGQVFKR-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.59
Rot. Bonds6

About N,N'-dibutylethanimidamide

N,N'-dibutylethanimidamide (PubChem CID 11194584) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N,N'-dibutylethanimidamide.

Molecular Properties

Compound NameN,N'-dibutylethanimidamide
PubChem CID11194584
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN,N'-dibutylethanimidamide
SMILESCCCC/N=C(\C)NCCCC
InChIInChI=1S/C10H22N2/c1-4-6-8-11-10(3)12-9-7-5-2/h4-9H2,1-3H3,(H,11,12)
InChIKeyBSENPUMSGQVFKR-UHFFFAOYSA-N
XLogP2.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-dibutylethanimidamide?
The IUPAC name of N,N'-dibutylethanimidamide (CID 11194584) is N,N'-dibutylethanimidamide.
What is the SMILES notation for N,N'-dibutylethanimidamide?
The canonical SMILES for N,N'-dibutylethanimidamide is CCCC/N=C(\C)NCCCC.
What is the InChIKey of N,N'-dibutylethanimidamide?
The InChIKey is BSENPUMSGQVFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-4-6-8-11-10(3)12-9-7-5-2/h4-9H2,1-3H3,(H,11,12).
What are the key properties of N,N'-dibutylethanimidamide?
N,N'-dibutylethanimidamide has a molecular weight of 170.30 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibutylethanimidamide is sourced from PubChem (CID 11194584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).