2,3,3-trimethylpentanimidamide

C8H18N2 — CID 54083252

IUPAC2,3,3-trimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)C(C)(C)CC
InChIInChI=1S/C8H18N2/c1-5-8(3,4)6(2)7(9)10/h6H,5H2,1-4H3,(H3,9,10)
InChIKeyMOPOLXDTSAMQHA-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.99
Rot. Bonds3

About 2,3,3-trimethylpentanimidamide

2,3,3-trimethylpentanimidamide (PubChem CID 54083252) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 2,3,3-trimethylpentanimidamide.

Molecular Properties

Compound Name2,3,3-trimethylpentanimidamide
PubChem CID54083252
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name2,3,3-trimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)C(C)(C)CC
InChIInChI=1S/C8H18N2/c1-5-8(3,4)6(2)7(9)10/h6H,5H2,1-4H3,(H3,9,10)
InChIKeyMOPOLXDTSAMQHA-UHFFFAOYSA-N
XLogP1.99
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
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 2,3,3-trimethylpentanimidamide?
The IUPAC name of 2,3,3-trimethylpentanimidamide (CID 54083252) is 2,3,3-trimethylpentanimidamide.
What is the SMILES notation for 2,3,3-trimethylpentanimidamide?
The canonical SMILES for 2,3,3-trimethylpentanimidamide is [H]/N=C(\N)C(C)C(C)(C)CC.
What is the InChIKey of 2,3,3-trimethylpentanimidamide?
The InChIKey is MOPOLXDTSAMQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-5-8(3,4)6(2)7(9)10/h6H,5H2,1-4H3,(H3,9,10).
What are the key properties of 2,3,3-trimethylpentanimidamide?
2,3,3-trimethylpentanimidamide has a molecular weight of 142.25 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethylpentanimidamide is sourced from PubChem (CID 54083252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).