N-[amino(dimethylamino)methylidene]carbamimidoyl iodide;N'-carbamimidoyl-N,N-dimethylmethanimidamide;2-(N-ethylidenecarbamimidoyl)-1,1-dimethylguanidine;molecular hydrogen

C14H36IN13 — CID 161367333

IUPACN-[amino(dimethylamino)methylidene]carbamimidoyl iodide;N'-carbamimidoyl-N,N-dimethylmethanimidamide;2-(N-ethylidenecarbamimidoyl)-1,1-dimethylguanidine;molecular hydrogen
SMILES[H]/N=C(\I)N=C(N)N(C)C.[H]/N=C(\N)N=CN(C)C.[H]/N=C(\N=CC)N=C(N)N(C)C.[H][H].[H][H]
InChIInChI=1S/C6H13N5.C4H9IN4.C4H10N4.2H2/c1-4-9-5(7)10-6(8)11(2)3;1-9(2)4(7)8-3(5)6;1-8(2)3-7-4(5)6;;/h4H,1-3H3,(H3,7,8,10);1-2H3,(H3,6,7,8);3H,1-2H3,(H3,5,6);2*1H
InChIKeyVPZHMPJPUKLLBZ-UHFFFAOYSA-N
MW513.44 g/mol
LogP0.08
Rot. Bonds1

About N-[amino(dimethylamino)methylidene]carbamimidoyl iodide;N'-carbamimidoyl-N,N-dimethylmethanimidamide;2-(N-ethylidenecarbamimidoyl)-1,1-dimethylguanidine;molecular hydrogen

N-[amino(dimethylamino)methylidene]carbamimidoyl iodide;N'-carbamimidoyl-N,N-dimethylmethanimidamide;2-(N-ethylidenecarbamimidoyl)-1,1-dimethylguanidine;molecular hydrogen (PubChem CID 161367333) has the molecular formula C14H36IN13 and a molecular weight of 513.44 g/mol. Its IUPAC name is N-[amino(dimethylamino)methylidene]carbamimidoyl iodide;N'-carbamimidoyl-N,N-dimethylmethanimidamide;2-(N-ethylidenecarbamimidoyl)-1,1-dimethylguanidine;molecular hydrogen.

Molecular Properties

Compound NameN-[amino(dimethylamino)methylidene]carbamimidoyl iodide;N'-carbamimidoyl-N,N-dimethylmethanimidamide;2-(N-ethylidenecarbamimidoyl)-1,1-dimethylguanidine;molecular hydrogen
PubChem CID161367333
Molecular FormulaC14H36IN13
Molecular Weight513.44 g/mol
Exact Mass513.23
IUPAC NameN-[amino(dimethylamino)methylidene]carbamimidoyl iodide;N'-carbamimidoyl-N,N-dimethylmethanimidamide;2-(N-ethylidenecarbamimidoyl)-1,1-dimethylguanidine;molecular hydrogen
SMILES[H]/N=C(\I)N=C(N)N(C)C.[H]/N=C(\N)N=CN(C)C.[H]/N=C(\N=CC)N=C(N)N(C)C.[H][H].[H][H]
InChIInChI=1S/C6H13N5.C4H9IN4.C4H10N4.2H2/c1-4-9-5(7)10-6(8)11(2)3;1-9(2)4(7)8-3(5)6;1-8(2)3-7-4(5)6;;/h4H,1-3H3,(H3,7,8,10);1-2H3,(H3,6,7,8);3H,1-2H3,(H3,5,6);2*1H
InChIKeyVPZHMPJPUKLLBZ-UHFFFAOYSA-N
XLogP0.08
TPSA208.77 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.44
LogP ≤ 50.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-[amino(dimethylamino)methylidene]carbamimidoyl iodide;N'-carbamimidoyl-N,N-dimethylmethanimidamide;2-(N-ethylidenecarbamimidoyl)-1,1-dimethylguanidine;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride
CID 176525900
2-carbamimidoyl-1,1-dimethylguanidine;hexanedioic acid
CID 176517740
2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride
CID 176531718
3-[amino-(ethylideneamino)methylidene]-1,1-dimethylguanidine
CID 161367334
2-carbamimidoyl-1,1-bis(trideuteriomethyl)guanidine;hydrochloride
CID 176516996
2-carbamimidoyl-1,1-bis(trideuteriomethyl)guanidine;hydrochloride
CID 176525164
2-carbamimidoyl-1-chloro-1-prop-1-enylguanidine
CID 176536925
1-(diaminomethylidene)-3-propylideneguanidine
CID 174393528
2-carbamimidoyl-1,1-dimethylguanidine;dodecanoic acid
CID 176517010
1-(ethylideneamino)-1-methylguanidine;hydrochloride
CID 129017623
(2S)-2-amino-3-methylbutanoic acid;2-carbamimidoyl-1,1-dimethylguanidine;hydrochloride
CID 176527635
2-amino-3-phenylpropan-1-ol;2-carbamimidoyl-1,1-dimethylguanidine
CID 176541547

Frequently Asked Questions

What is the IUPAC name of N-[amino(dimethylamino)methylidene]carbamimidoyl iodide;N'-carbamimidoyl-N,N-dimethylmethanimidamide;2-(N-ethylidenecarbamimidoyl)-1,1-dimethylguanidine;molecular hydrogen?
The IUPAC name of N-[amino(dimethylamino)methylidene]carbamimidoyl iodide;N'-carbamimidoyl-N,N-dimethylmethanimidamide;2-(N-ethylidenecarbamimidoyl)-1,1-dimethylguanidine;molecular hydrogen (CID 161367333) is N-[amino(dimethylamino)methylidene]carbamimidoyl iodide;N'-carbamimidoyl-N,N-dimethylmethanimidamide;2-(N-ethylidenecarbamimidoyl)-1,1-dimethylguanidine;molecular hydrogen.
What is the SMILES notation for N-[amino(dimethylamino)methylidene]carbamimidoyl iodide;N'-carbamimidoyl-N,N-dimethylmethanimidamide;2-(N-ethylidenecarbamimidoyl)-1,1-dimethylguanidine;molecular hydrogen?
The canonical SMILES for N-[amino(dimethylamino)methylidene]carbamimidoyl iodide;N'-carbamimidoyl-N,N-dimethylmethanimidamide;2-(N-ethylidenecarbamimidoyl)-1,1-dimethylguanidine;molecular hydrogen is [H]/N=C(\I)N=C(N)N(C)C.[H]/N=C(\N)N=CN(C)C.[H]/N=C(\N=CC)N=C(N)N(C)C.[H][H].[H][H].
What is the InChIKey of N-[amino(dimethylamino)methylidene]carbamimidoyl iodide;N'-carbamimidoyl-N,N-dimethylmethanimidamide;2-(N-ethylidenecarbamimidoyl)-1,1-dimethylguanidine;molecular hydrogen?
The InChIKey is VPZHMPJPUKLLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5.C4H9IN4.C4H10N4.2H2/c1-4-9-5(7)10-6(8)11(2)3;1-9(2)4(7)8-3(5)6;1-8(2)3-7-4(5)6;;/h4H,1-3H3,(H3,7,8,10);1-2H3,(H3,6,7,8);3H,1-2H3,(H3,5,6);2*1H.
What are the key properties of N-[amino(dimethylamino)methylidene]carbamimidoyl iodide;N'-carbamimidoyl-N,N-dimethylmethanimidamide;2-(N-ethylidenecarbamimidoyl)-1,1-dimethylguanidine;molecular hydrogen?
N-[amino(dimethylamino)methylidene]carbamimidoyl iodide;N'-carbamimidoyl-N,N-dimethylmethanimidamide;2-(N-ethylidenecarbamimidoyl)-1,1-dimethylguanidine;molecular hydrogen has a molecular weight of 513.44 g/mol, XLogP of 0.08, 1 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(dimethylamino)methylidene]carbamimidoyl iodide;N'-carbamimidoyl-N,N-dimethylmethanimidamide;2-(N-ethylidenecarbamimidoyl)-1,1-dimethylguanidine;molecular hydrogen is sourced from PubChem (CID 161367333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).