1-amino-1-propylguanidine

C4H12N4 — CID 19879838

IUPAC1-amino-1-propylguanidine
SMILES[H]/N=C(\N)N(N)CCC
InChIInChI=1S/C4H12N4/c1-2-3-8(7)4(5)6/h2-3,7H2,1H3,(H3,5,6)
InChIKeyHFKPGMQGBBZVIM-UHFFFAOYSA-N
MW116.17 g/mol
LogP-0.53
Rot. Bonds2

About 1-amino-1-propylguanidine

1-amino-1-propylguanidine (PubChem CID 19879838) has the molecular formula C4H12N4 and a molecular weight of 116.17 g/mol. Its IUPAC name is 1-amino-1-propylguanidine.

Molecular Properties

Compound Name1-amino-1-propylguanidine
PubChem CID19879838
Molecular FormulaC4H12N4
Molecular Weight116.17 g/mol
Exact Mass116.11
IUPAC Name1-amino-1-propylguanidine
SMILES[H]/N=C(\N)N(N)CCC
InChIInChI=1S/C4H12N4/c1-2-3-8(7)4(5)6/h2-3,7H2,1H3,(H3,5,6)
InChIKeyHFKPGMQGBBZVIM-UHFFFAOYSA-N
XLogP-0.53
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.17
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-propylguanidine?
The IUPAC name of 1-amino-1-propylguanidine (CID 19879838) is 1-amino-1-propylguanidine.
What is the SMILES notation for 1-amino-1-propylguanidine?
The canonical SMILES for 1-amino-1-propylguanidine is [H]/N=C(\N)N(N)CCC.
What is the InChIKey of 1-amino-1-propylguanidine?
The InChIKey is HFKPGMQGBBZVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4/c1-2-3-8(7)4(5)6/h2-3,7H2,1H3,(H3,5,6).
What are the key properties of 1-amino-1-propylguanidine?
1-amino-1-propylguanidine has a molecular weight of 116.17 g/mol, XLogP of -0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-propylguanidine is sourced from PubChem (CID 19879838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).