3-[amino-(ethylideneamino)methylidene]-1,1-dimethylguanidine

C6H13N5 — CID 161367334

IUPAC3-[amino-(ethylideneamino)methylidene]-1,1-dimethylguanidine
SMILES[H]/N=C(/N=C(N)N=CC)N(C)C
InChIInChI=1S/C6H13N5/c1-4-9-5(7)10-6(8)11(2)3/h4H,1-3H3,(H3,7,8,10)
InChIKeyCUFKKPBXUZJZHA-UHFFFAOYSA-N
MW155.21 g/mol
LogP-0.11
Rot. Bonds

About 3-[amino-(ethylideneamino)methylidene]-1,1-dimethylguanidine

3-[amino-(ethylideneamino)methylidene]-1,1-dimethylguanidine (PubChem CID 161367334) has the molecular formula C6H13N5 and a molecular weight of 155.21 g/mol. Its IUPAC name is 3-[amino-(ethylideneamino)methylidene]-1,1-dimethylguanidine.

Molecular Properties

Compound Name3-[amino-(ethylideneamino)methylidene]-1,1-dimethylguanidine
PubChem CID161367334
Molecular FormulaC6H13N5
Molecular Weight155.21 g/mol
Exact Mass155.12
IUPAC Name3-[amino-(ethylideneamino)methylidene]-1,1-dimethylguanidine
SMILES[H]/N=C(/N=C(N)N=CC)N(C)C
InChIInChI=1S/C6H13N5/c1-4-9-5(7)10-6(8)11(2)3/h4H,1-3H3,(H3,7,8,10)
InChIKeyCUFKKPBXUZJZHA-UHFFFAOYSA-N
XLogP-0.11
TPSA77.83 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine
CID 24961549
3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid
CID 46892505
1,1-dimethyl-3-prop-2-enylideneguanidine
CID 173495661
1-(ethylideneamino)-1-methylguanidine;hydrochloride
CID 129017623
N'-(N,N-dimethylcarbamimidoyl)-4,7-dioxo-1,3,2-dioxazepine-2-carboximidamide
CID 141013219
3-ethylidene-1,1-bis(4-methylphenyl)guanidine
CID 57050474
N-[amino(dimethylamino)methylidene]carbamimidoyl iodide;N'-carbamimidoyl-N,N-dimethylmethanimidamide;2-(N-ethylidenecarbamimidoyl)-1,1-dimethylguanidine;molecular hydrogen
CID 161367333
N-[(E)-N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]-2-hydroxybenzamide
CID 177429251
2-(N,N-dimethylcarbamimidoyl)-1-[2-(4-fluorophenyl)ethyl]-1-methylguanidine;hydrochloride
CID 159346485
3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 79006437
3-(diaminomethylidene)-1,1-dimethylguanidine;2-(2,2-dicyclohexylethyl)piperidine
CID 91885566
N-[N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 138454824

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(ethylideneamino)methylidene]-1,1-dimethylguanidine?
The IUPAC name of 3-[amino-(ethylideneamino)methylidene]-1,1-dimethylguanidine (CID 161367334) is 3-[amino-(ethylideneamino)methylidene]-1,1-dimethylguanidine.
What is the SMILES notation for 3-[amino-(ethylideneamino)methylidene]-1,1-dimethylguanidine?
The canonical SMILES for 3-[amino-(ethylideneamino)methylidene]-1,1-dimethylguanidine is [H]/N=C(/N=C(N)N=CC)N(C)C.
What is the InChIKey of 3-[amino-(ethylideneamino)methylidene]-1,1-dimethylguanidine?
The InChIKey is CUFKKPBXUZJZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5/c1-4-9-5(7)10-6(8)11(2)3/h4H,1-3H3,(H3,7,8,10).
What are the key properties of 3-[amino-(ethylideneamino)methylidene]-1,1-dimethylguanidine?
3-[amino-(ethylideneamino)methylidene]-1,1-dimethylguanidine has a molecular weight of 155.21 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(ethylideneamino)methylidene]-1,1-dimethylguanidine is sourced from PubChem (CID 161367334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).