1-amino-2-carbamimidoyl-1-propylguanidine

C5H14N6 — CID 176519542

IUPAC1-amino-2-carbamimidoyl-1-propylguanidine
SMILES[H]/N=C(\N)N=C(N)N(N)CCC
InChIInChI=1S/C5H14N6/c1-2-3-11(9)5(8)10-4(6)7/h2-3,9H2,1H3,(H5,6,7,8,10)
InChIKeyMEFJSDCZNJJFBT-UHFFFAOYSA-N
MW158.21 g/mol
LogP-1.22
Rot. Bonds2

About 1-amino-2-carbamimidoyl-1-propylguanidine

1-amino-2-carbamimidoyl-1-propylguanidine (PubChem CID 176519542) has the molecular formula C5H14N6 and a molecular weight of 158.21 g/mol. Its IUPAC name is 1-amino-2-carbamimidoyl-1-propylguanidine.

Molecular Properties

Compound Name1-amino-2-carbamimidoyl-1-propylguanidine
PubChem CID176519542
Molecular FormulaC5H14N6
Molecular Weight158.21 g/mol
Exact Mass158.13
IUPAC Name1-amino-2-carbamimidoyl-1-propylguanidine
SMILES[H]/N=C(\N)N=C(N)N(N)CCC
InChIInChI=1S/C5H14N6/c1-2-3-11(9)5(8)10-4(6)7/h2-3,9H2,1H3,(H5,6,7,8,10)
InChIKeyMEFJSDCZNJJFBT-UHFFFAOYSA-N
XLogP-1.22
TPSA117.51 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.21
LogP ≤ 5-1.22
H-Bond Donors ≤ 54
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-2-carbamimidoyl-1-propylguanidine?
The IUPAC name of 1-amino-2-carbamimidoyl-1-propylguanidine (CID 176519542) is 1-amino-2-carbamimidoyl-1-propylguanidine.
What is the SMILES notation for 1-amino-2-carbamimidoyl-1-propylguanidine?
The canonical SMILES for 1-amino-2-carbamimidoyl-1-propylguanidine is [H]/N=C(\N)N=C(N)N(N)CCC.
What is the InChIKey of 1-amino-2-carbamimidoyl-1-propylguanidine?
The InChIKey is MEFJSDCZNJJFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N6/c1-2-3-11(9)5(8)10-4(6)7/h2-3,9H2,1H3,(H5,6,7,8,10).
What are the key properties of 1-amino-2-carbamimidoyl-1-propylguanidine?
1-amino-2-carbamimidoyl-1-propylguanidine has a molecular weight of 158.21 g/mol, XLogP of -1.22, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-carbamimidoyl-1-propylguanidine is sourced from PubChem (CID 176519542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).