3-(propylamino)propanimidamide

C6H15N3 — CID 130690557

IUPAC3-(propylamino)propanimidamide
SMILES[H]/N=C(\N)CCNCCC
InChIInChI=1S/C6H15N3/c1-2-4-9-5-3-6(7)8/h9H,2-5H2,1H3,(H3,7,8)
InChIKeyZTMINLWFLCOKNY-UHFFFAOYSA-N
MW129.21 g/mol
LogP0.31
Rot. Bonds5

About 3-(propylamino)propanimidamide

3-(propylamino)propanimidamide (PubChem CID 130690557) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is 3-(propylamino)propanimidamide.

Molecular Properties

Compound Name3-(propylamino)propanimidamide
PubChem CID130690557
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name3-(propylamino)propanimidamide
SMILES[H]/N=C(\N)CCNCCC
InChIInChI=1S/C6H15N3/c1-2-4-9-5-3-6(7)8/h9H,2-5H2,1H3,(H3,7,8)
InChIKeyZTMINLWFLCOKNY-UHFFFAOYSA-N
XLogP0.31
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(propylamino)propanimidamide?
The IUPAC name of 3-(propylamino)propanimidamide (CID 130690557) is 3-(propylamino)propanimidamide.
What is the SMILES notation for 3-(propylamino)propanimidamide?
The canonical SMILES for 3-(propylamino)propanimidamide is [H]/N=C(\N)CCNCCC.
What is the InChIKey of 3-(propylamino)propanimidamide?
The InChIKey is ZTMINLWFLCOKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3/c1-2-4-9-5-3-6(7)8/h9H,2-5H2,1H3,(H3,7,8).
What are the key properties of 3-(propylamino)propanimidamide?
3-(propylamino)propanimidamide has a molecular weight of 129.21 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)propanimidamide is sourced from PubChem (CID 130690557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).