N'-butyl-N,N-dimethylethanimidamide

C8H18N2 — CID 525277

IUPACN'-butyl-N,N-dimethylethanimidamide
SMILESCCCC/N=C(\C)N(C)C
InChIInChI=1S/C8H18N2/c1-5-6-7-9-8(2)10(3)4/h5-7H2,1-4H3/b9-8+
InChIKeyREZNJZLSBOFZPX-CMDGGOBGSA-N
MW142.25 g/mol
LogP1.77
Rot. Bonds3

About N'-butyl-N,N-dimethylethanimidamide

N'-butyl-N,N-dimethylethanimidamide (PubChem CID 525277) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N'-butyl-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-butyl-N,N-dimethylethanimidamide
PubChem CID525277
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN'-butyl-N,N-dimethylethanimidamide
SMILESCCCC/N=C(\C)N(C)C
InChIInChI=1S/C8H18N2/c1-5-6-7-9-8(2)10(3)4/h5-7H2,1-4H3/b9-8+
InChIKeyREZNJZLSBOFZPX-CMDGGOBGSA-N
XLogP1.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
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'-butyl-N,N-dimethylethanimidamide?
The IUPAC name of N'-butyl-N,N-dimethylethanimidamide (CID 525277) is N'-butyl-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-butyl-N,N-dimethylethanimidamide?
The canonical SMILES for N'-butyl-N,N-dimethylethanimidamide is CCCC/N=C(\C)N(C)C.
What is the InChIKey of N'-butyl-N,N-dimethylethanimidamide?
The InChIKey is REZNJZLSBOFZPX-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H18N2/c1-5-6-7-9-8(2)10(3)4/h5-7H2,1-4H3/b9-8+.
What are the key properties of N'-butyl-N,N-dimethylethanimidamide?
N'-butyl-N,N-dimethylethanimidamide has a molecular weight of 142.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N,N-dimethylethanimidamide is sourced from PubChem (CID 525277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).