3-propyliminopropanimidamide

C6H13N3 — CID 123188032

IUPAC3-propyliminopropanimidamide
SMILES[H]/N=C(\N)C/C=N/CCC
InChIInChI=1S/C6H13N3/c1-2-4-9-5-3-6(7)8/h5H,2-4H2,1H3,(H3,7,8)/b9-5+
InChIKeyGSVMGDZVFKIOHQ-WEVVVXLNSA-N
MW127.19 g/mol
LogP0.79
Rot. Bonds4

About 3-propyliminopropanimidamide

3-propyliminopropanimidamide (PubChem CID 123188032) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-propyliminopropanimidamide.

Molecular Properties

Compound Name3-propyliminopropanimidamide
PubChem CID123188032
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name3-propyliminopropanimidamide
SMILES[H]/N=C(\N)C/C=N/CCC
InChIInChI=1S/C6H13N3/c1-2-4-9-5-3-6(7)8/h5H,2-4H2,1H3,(H3,7,8)/b9-5+
InChIKeyGSVMGDZVFKIOHQ-WEVVVXLNSA-N
XLogP0.79
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-propyliminopropanimidamide?
The IUPAC name of 3-propyliminopropanimidamide (CID 123188032) is 3-propyliminopropanimidamide.
What is the SMILES notation for 3-propyliminopropanimidamide?
The canonical SMILES for 3-propyliminopropanimidamide is [H]/N=C(\N)C/C=N/CCC.
What is the InChIKey of 3-propyliminopropanimidamide?
The InChIKey is GSVMGDZVFKIOHQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C6H13N3/c1-2-4-9-5-3-6(7)8/h5H,2-4H2,1H3,(H3,7,8)/b9-5+.
What are the key properties of 3-propyliminopropanimidamide?
3-propyliminopropanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyliminopropanimidamide is sourced from PubChem (CID 123188032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).