2-carbamimidoyl-1,1-dipentylguanidine

C12H27N5 — CID 176528677

IUPAC2-carbamimidoyl-1,1-dipentylguanidine
SMILES[H]/N=C(N)/N=C(\N)N(CCCCC)CCCCC
InChIInChI=1S/C12H27N5/c1-3-5-7-9-17(10-8-6-4-2)12(15)16-11(13)14/h3-10H2,1-2H3,(H5,13,14,15,16)
InChIKeyASLUEXWHMHPYQQ-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.88
Rot. Bonds8

About 2-carbamimidoyl-1,1-dipentylguanidine

2-carbamimidoyl-1,1-dipentylguanidine (PubChem CID 176528677) has the molecular formula C12H27N5 and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-carbamimidoyl-1,1-dipentylguanidine.

Molecular Properties

Compound Name2-carbamimidoyl-1,1-dipentylguanidine
PubChem CID176528677
Molecular FormulaC12H27N5
Molecular Weight241.38 g/mol
Exact Mass241.23
IUPAC Name2-carbamimidoyl-1,1-dipentylguanidine
SMILES[H]/N=C(N)/N=C(\N)N(CCCCC)CCCCC
InChIInChI=1S/C12H27N5/c1-3-5-7-9-17(10-8-6-4-2)12(15)16-11(13)14/h3-10H2,1-2H3,(H5,13,14,15,16)
InChIKeyASLUEXWHMHPYQQ-UHFFFAOYSA-N
XLogP1.88
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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 2-carbamimidoyl-1,1-dipentylguanidine?
The IUPAC name of 2-carbamimidoyl-1,1-dipentylguanidine (CID 176528677) is 2-carbamimidoyl-1,1-dipentylguanidine.
What is the SMILES notation for 2-carbamimidoyl-1,1-dipentylguanidine?
The canonical SMILES for 2-carbamimidoyl-1,1-dipentylguanidine is [H]/N=C(N)/N=C(\N)N(CCCCC)CCCCC.
What is the InChIKey of 2-carbamimidoyl-1,1-dipentylguanidine?
The InChIKey is ASLUEXWHMHPYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N5/c1-3-5-7-9-17(10-8-6-4-2)12(15)16-11(13)14/h3-10H2,1-2H3,(H5,13,14,15,16).
What are the key properties of 2-carbamimidoyl-1,1-dipentylguanidine?
2-carbamimidoyl-1,1-dipentylguanidine has a molecular weight of 241.38 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidoyl-1,1-dipentylguanidine is sourced from PubChem (CID 176528677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).