N'-propylethanimidamide

C5H12N2 — CID 21447199

IUPACN'-propylethanimidamide
SMILESCCC/N=C(\C)N
InChIInChI=1S/C5H12N2/c1-3-4-7-5(2)6/h3-4H2,1-2H3,(H2,6,7)
InChIKeyUZUJMJXNBZUMQP-UHFFFAOYSA-N
MW100.16 g/mol
LogP0.77
Rot. Bonds2

About N'-propylethanimidamide

N'-propylethanimidamide (PubChem CID 21447199) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is N'-propylethanimidamide.

Molecular Properties

Compound NameN'-propylethanimidamide
PubChem CID21447199
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC NameN'-propylethanimidamide
SMILESCCC/N=C(\C)N
InChIInChI=1S/C5H12N2/c1-3-4-7-5(2)6/h3-4H2,1-2H3,(H2,6,7)
InChIKeyUZUJMJXNBZUMQP-UHFFFAOYSA-N
XLogP0.77
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.77
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'-propylethanimidamide?
The IUPAC name of N'-propylethanimidamide (CID 21447199) is N'-propylethanimidamide.
What is the SMILES notation for N'-propylethanimidamide?
The canonical SMILES for N'-propylethanimidamide is CCC/N=C(\C)N.
What is the InChIKey of N'-propylethanimidamide?
The InChIKey is UZUJMJXNBZUMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-3-4-7-5(2)6/h3-4H2,1-2H3,(H2,6,7).
What are the key properties of N'-propylethanimidamide?
N'-propylethanimidamide has a molecular weight of 100.16 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propylethanimidamide is sourced from PubChem (CID 21447199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).