1-carbamimidoyl-1-methyl-2-propylguanidine

C6H15N5 — CID 86292738

IUPAC1-carbamimidoyl-1-methyl-2-propylguanidine
SMILES[H]/N=C(\N)N(C)/C(N)=N/CCC
InChIInChI=1S/C6H15N5/c1-3-4-10-6(9)11(2)5(7)8/h3-4H2,1-2H3,(H3,7,8)(H2,9,10)
InChIKeyZKCALSKMJBMWAH-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.46
Rot. Bonds2

About 1-carbamimidoyl-1-methyl-2-propylguanidine

1-carbamimidoyl-1-methyl-2-propylguanidine (PubChem CID 86292738) has the molecular formula C6H15N5 and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-carbamimidoyl-1-methyl-2-propylguanidine.

Molecular Properties

Compound Name1-carbamimidoyl-1-methyl-2-propylguanidine
PubChem CID86292738
Molecular FormulaC6H15N5
Molecular Weight157.22 g/mol
Exact Mass157.13
IUPAC Name1-carbamimidoyl-1-methyl-2-propylguanidine
SMILES[H]/N=C(\N)N(C)/C(N)=N/CCC
InChIInChI=1S/C6H15N5/c1-3-4-10-6(9)11(2)5(7)8/h3-4H2,1-2H3,(H3,7,8)(H2,9,10)
InChIKeyZKCALSKMJBMWAH-UHFFFAOYSA-N
XLogP-0.46
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
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-1-methyl-2-propylguanidine?
The IUPAC name of 1-carbamimidoyl-1-methyl-2-propylguanidine (CID 86292738) is 1-carbamimidoyl-1-methyl-2-propylguanidine.
What is the SMILES notation for 1-carbamimidoyl-1-methyl-2-propylguanidine?
The canonical SMILES for 1-carbamimidoyl-1-methyl-2-propylguanidine is [H]/N=C(\N)N(C)/C(N)=N/CCC.
What is the InChIKey of 1-carbamimidoyl-1-methyl-2-propylguanidine?
The InChIKey is ZKCALSKMJBMWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5/c1-3-4-10-6(9)11(2)5(7)8/h3-4H2,1-2H3,(H3,7,8)(H2,9,10).
What are the key properties of 1-carbamimidoyl-1-methyl-2-propylguanidine?
1-carbamimidoyl-1-methyl-2-propylguanidine has a molecular weight of 157.22 g/mol, XLogP of -0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-1-methyl-2-propylguanidine is sourced from PubChem (CID 86292738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).