1-carbamimidoyl-2-propan-2-ylguanidine

C5H13N5 — CID 176522911

IUPAC1-carbamimidoyl-2-propan-2-ylguanidine
SMILES[H]/N=C(\N)N/C(N)=N/C(C)C
InChIInChI=1S/C5H13N5/c1-3(2)9-5(8)10-4(6)7/h3H,1-2H3,(H6,6,7,8,9,10)
InChIKeyUBBHRFLEDZWRNR-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.81
Rot. Bonds1

About 1-carbamimidoyl-2-propan-2-ylguanidine

1-carbamimidoyl-2-propan-2-ylguanidine (PubChem CID 176522911) has the molecular formula C5H13N5 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-carbamimidoyl-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-propan-2-ylguanidine
PubChem CID176522911
Molecular FormulaC5H13N5
Molecular Weight143.19 g/mol
Exact Mass143.12
IUPAC Name1-carbamimidoyl-2-propan-2-ylguanidine
SMILES[H]/N=C(\N)N/C(N)=N/C(C)C
InChIInChI=1S/C5H13N5/c1-3(2)9-5(8)10-4(6)7/h3H,1-2H3,(H6,6,7,8,9,10)
InChIKeyUBBHRFLEDZWRNR-UHFFFAOYSA-N
XLogP-0.81
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
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 1-carbamimidoyl-2-propan-2-ylguanidine?
The IUPAC name of 1-carbamimidoyl-2-propan-2-ylguanidine (CID 176522911) is 1-carbamimidoyl-2-propan-2-ylguanidine.
What is the SMILES notation for 1-carbamimidoyl-2-propan-2-ylguanidine?
The canonical SMILES for 1-carbamimidoyl-2-propan-2-ylguanidine is [H]/N=C(\N)N/C(N)=N/C(C)C.
What is the InChIKey of 1-carbamimidoyl-2-propan-2-ylguanidine?
The InChIKey is UBBHRFLEDZWRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N5/c1-3(2)9-5(8)10-4(6)7/h3H,1-2H3,(H6,6,7,8,9,10).
What are the key properties of 1-carbamimidoyl-2-propan-2-ylguanidine?
1-carbamimidoyl-2-propan-2-ylguanidine has a molecular weight of 143.19 g/mol, XLogP of -0.81, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-propan-2-ylguanidine is sourced from PubChem (CID 176522911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).