2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid

C16H35N5O2 — CID 176517010

IUPAC2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid
SMILESCCCCCCCCCCCC(=O)O.[H]/N=C(N)/N=C(\N)N(C)C
InChIInChI=1S/C12H24O2.C4H11N5/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-9(2)4(7)8-3(5)6/h2-11H2,1H3,(H,13,14);1-2H3,(H5,5,6,7,8)
InChIKeyBGCYKCSLRJGVAP-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.75
Rot. Bonds10

About 2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid

2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid (PubChem CID 176517010) has the molecular formula C16H35N5O2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid.

Molecular Properties

Compound Name2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid
PubChem CID176517010
Molecular FormulaC16H35N5O2
Molecular Weight329.49 g/mol
Exact Mass329.28
IUPAC Name2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid
SMILESCCCCCCCCCCCC(=O)O.[H]/N=C(N)/N=C(\N)N(C)C
InChIInChI=1S/C12H24O2.C4H11N5/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-9(2)4(7)8-3(5)6/h2-11H2,1H3,(H,13,14);1-2H3,(H5,5,6,7,8)
InChIKeyBGCYKCSLRJGVAP-UHFFFAOYSA-N
XLogP2.75
TPSA128.79 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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-dimethylguanidine;dodecanoic acid?
The IUPAC name of 2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid (CID 176517010) is 2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid.
What is the SMILES notation for 2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid?
The canonical SMILES for 2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid is CCCCCCCCCCCC(=O)O.[H]/N=C(N)/N=C(\N)N(C)C.
What is the InChIKey of 2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid?
The InChIKey is BGCYKCSLRJGVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.C4H11N5/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-9(2)4(7)8-3(5)6/h2-11H2,1H3,(H,13,14);1-2H3,(H5,5,6,7,8).
What are the key properties of 2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid?
2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid has a molecular weight of 329.49 g/mol, XLogP of 2.75, 10 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid is sourced from PubChem (CID 176517010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).