pentanimidamide

C5H12N2 — CID 4097830

IUPACpentanimidamide
SMILES[H]/N=C(/N)CCCC
InChIInChI=1S/C5H12N2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H3,6,7)
InChIKeyLPXCHPSTROLSJX-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.11
Rot. Bonds3

About pentanimidamide

pentanimidamide (PubChem CID 4097830) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is pentanimidamide.

Molecular Properties

Compound Namepentanimidamide
PubChem CID4097830
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Namepentanimidamide
SMILES[H]/N=C(/N)CCCC
InChIInChI=1S/C5H12N2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H3,6,7)
InChIKeyLPXCHPSTROLSJX-UHFFFAOYSA-N
XLogP1.11
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.11
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 pentanimidamide?
The IUPAC name of pentanimidamide (CID 4097830) is pentanimidamide.
What is the SMILES notation for pentanimidamide?
The canonical SMILES for pentanimidamide is [H]/N=C(/N)CCCC.
What is the InChIKey of pentanimidamide?
The InChIKey is LPXCHPSTROLSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H3,6,7).
What are the key properties of pentanimidamide?
pentanimidamide has a molecular weight of 100.16 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentanimidamide is sourced from PubChem (CID 4097830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).