N',2,2-trimethylpentanimidamide

C8H18N2 — CID 144786120

IUPACN',2,2-trimethylpentanimidamide
SMILESCCCC(C)(C)/C(N)=N/C
InChIInChI=1S/C8H18N2/c1-5-6-8(2,3)7(9)10-4/h5-6H2,1-4H3,(H2,9,10)
InChIKeyQEHUBWZCOXLGJU-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.80
Rot. Bonds3

About N',2,2-trimethylpentanimidamide

N',2,2-trimethylpentanimidamide (PubChem CID 144786120) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N',2,2-trimethylpentanimidamide.

Molecular Properties

Compound NameN',2,2-trimethylpentanimidamide
PubChem CID144786120
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN',2,2-trimethylpentanimidamide
SMILESCCCC(C)(C)/C(N)=N/C
InChIInChI=1S/C8H18N2/c1-5-6-8(2,3)7(9)10-4/h5-6H2,1-4H3,(H2,9,10)
InChIKeyQEHUBWZCOXLGJU-UHFFFAOYSA-N
XLogP1.80
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.80
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',2,2-trimethylpentanimidamide?
The IUPAC name of N',2,2-trimethylpentanimidamide (CID 144786120) is N',2,2-trimethylpentanimidamide.
What is the SMILES notation for N',2,2-trimethylpentanimidamide?
The canonical SMILES for N',2,2-trimethylpentanimidamide is CCCC(C)(C)/C(N)=N/C.
What is the InChIKey of N',2,2-trimethylpentanimidamide?
The InChIKey is QEHUBWZCOXLGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-5-6-8(2,3)7(9)10-4/h5-6H2,1-4H3,(H2,9,10).
What are the key properties of N',2,2-trimethylpentanimidamide?
N',2,2-trimethylpentanimidamide has a molecular weight of 142.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethylpentanimidamide is sourced from PubChem (CID 144786120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).