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

C10H21N5O4 — CID 176517740

IUPAC2-carbamimidoyl-1,1-dimethylguanidine;hexanedioic acid
SMILESO=C(O)CCCCC(=O)O.[H]/N=C(\N)N=C(N)N(C)C
InChIInChI=1S/C6H10O4.C4H11N5/c7-5(8)3-1-2-4-6(9)10;1-9(2)4(7)8-3(5)6/h1-4H2,(H,7,8)(H,9,10);1-2H3,(H5,5,6,7,8)
InChIKeyFZRPJHSCRAZBPK-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.53
Rot. Bonds5

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

2-carbamimidoyl-1,1-dimethylguanidine;hexanedioic acid (PubChem CID 176517740) has the molecular formula C10H21N5O4 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-carbamimidoyl-1,1-dimethylguanidine;hexanedioic acid.

Molecular Properties

Compound Name2-carbamimidoyl-1,1-dimethylguanidine;hexanedioic acid
PubChem CID176517740
Molecular FormulaC10H21N5O4
Molecular Weight275.31 g/mol
Exact Mass275.16
IUPAC Name2-carbamimidoyl-1,1-dimethylguanidine;hexanedioic acid
SMILESO=C(O)CCCCC(=O)O.[H]/N=C(\N)N=C(N)N(C)C
InChIInChI=1S/C6H10O4.C4H11N5/c7-5(8)3-1-2-4-6(9)10;1-9(2)4(7)8-3(5)6/h1-4H2,(H,7,8)(H,9,10);1-2H3,(H5,5,6,7,8)
InChIKeyFZRPJHSCRAZBPK-UHFFFAOYSA-N
XLogP-0.53
TPSA166.09 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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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Related Compounds

2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid
CID 176517010
2-amino-4-methylpentanoic acid;2-carbamimidoyl-1,1-dimethylguanidine
CID 176521466
(2S)-2-amino-3-methylbutanoic acid;2-carbamimidoyl-1,1-dimethylguanidine;hydrochloride
CID 176527635
5-[methyl-(N'-methylcarbamimidoyl)amino]pentanoic acid
CID 89284302
2-carbamimidoyl-1,1-bis(trideuteriomethyl)guanidine;hydrochloride
CID 176516996
2-carbamimidoyl-1,1-bis(trideuteriomethyl)guanidine;hydrochloride
CID 176525164
2-carbamimidoyl-1,1-dimethylguanidine;5-methyl-1H-pyrazole-3-carboxylic acid
CID 176518818
8-amino-8-iminooctanoic acid
CID 139654610
2-amino-3-phenylpropan-1-ol;2-carbamimidoyl-1,1-dimethylguanidine
CID 176541547
1-carbamimidoylguanidine;octanedioic acid
CID 176518629
3-(diaminomethylidene)-1,1-dimethylguanidine;5-[(3R)-dithiolan-3-yl]pentanoic acid
CID 23643140
4-[carbamohydrazonoyl(methyl)amino]butanoic acid
CID 57260967

Frequently Asked Questions

What is the IUPAC name of 2-carbamimidoyl-1,1-dimethylguanidine;hexanedioic acid?
The IUPAC name of 2-carbamimidoyl-1,1-dimethylguanidine;hexanedioic acid (CID 176517740) is 2-carbamimidoyl-1,1-dimethylguanidine;hexanedioic acid.
What is the SMILES notation for 2-carbamimidoyl-1,1-dimethylguanidine;hexanedioic acid?
The canonical SMILES for 2-carbamimidoyl-1,1-dimethylguanidine;hexanedioic acid is O=C(O)CCCCC(=O)O.[H]/N=C(\N)N=C(N)N(C)C.
What is the InChIKey of 2-carbamimidoyl-1,1-dimethylguanidine;hexanedioic acid?
The InChIKey is FZRPJHSCRAZBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.C4H11N5/c7-5(8)3-1-2-4-6(9)10;1-9(2)4(7)8-3(5)6/h1-4H2,(H,7,8)(H,9,10);1-2H3,(H5,5,6,7,8).
What are the key properties of 2-carbamimidoyl-1,1-dimethylguanidine;hexanedioic acid?
2-carbamimidoyl-1,1-dimethylguanidine;hexanedioic acid has a molecular weight of 275.31 g/mol, XLogP of -0.53, 5 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidoyl-1,1-dimethylguanidine;hexanedioic acid is sourced from PubChem (CID 176517740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).