2-methylpentanimidamide

C6H14N2 — CID 19988604

IUPAC2-methylpentanimidamide
SMILES[H]/N=C(\N)C(C)CCC
InChIInChI=1S/C6H14N2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H3,7,8)
InChIKeyGKRFOKIVXNRQAF-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.36
Rot. Bonds3

About 2-methylpentanimidamide

2-methylpentanimidamide (PubChem CID 19988604) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-methylpentanimidamide.

Molecular Properties

Compound Name2-methylpentanimidamide
PubChem CID19988604
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name2-methylpentanimidamide
SMILES[H]/N=C(\N)C(C)CCC
InChIInChI=1S/C6H14N2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H3,7,8)
InChIKeyGKRFOKIVXNRQAF-UHFFFAOYSA-N
XLogP1.36
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.36
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-methylpentanimidamide?
The IUPAC name of 2-methylpentanimidamide (CID 19988604) is 2-methylpentanimidamide.
What is the SMILES notation for 2-methylpentanimidamide?
The canonical SMILES for 2-methylpentanimidamide is [H]/N=C(\N)C(C)CCC.
What is the InChIKey of 2-methylpentanimidamide?
The InChIKey is GKRFOKIVXNRQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H3,7,8).
What are the key properties of 2-methylpentanimidamide?
2-methylpentanimidamide has a molecular weight of 114.19 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentanimidamide is sourced from PubChem (CID 19988604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).