acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine

C6H15N5O2 — CID 24961549

IUPACacetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine
SMILESCC(=O)O.[H]/N=C(/N=C(N)N)N(C)C
InChIInChI=1S/C4H11N5.C2H4O2/c1-9(2)4(7)8-3(5)6;1-2(3)4/h1-2H3,(H5,5,6,7,8);1H3,(H,3,4)
InChIKeyXADBMQVCRHIWQV-UHFFFAOYSA-N
MW189.22 g/mol
LogP-1.15
Rot. Bonds

About acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine

acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine (PubChem CID 24961549) has the molecular formula C6H15N5O2 and a molecular weight of 189.22 g/mol. Its IUPAC name is acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine.

Molecular Properties

Compound Nameacetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine
PubChem CID24961549
Molecular FormulaC6H15N5O2
Molecular Weight189.22 g/mol
Exact Mass189.12
IUPAC Nameacetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine
SMILESCC(=O)O.[H]/N=C(/N=C(N)N)N(C)C
InChIInChI=1S/C4H11N5.C2H4O2/c1-9(2)4(7)8-3(5)6;1-2(3)4/h1-2H3,(H5,5,6,7,8);1H3,(H,3,4)
InChIKeyXADBMQVCRHIWQV-UHFFFAOYSA-N
XLogP-1.15
TPSA128.79 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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

3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid
CID 46892505
2-aminoacetic acid;3-(diaminomethylidene)-1-iodo-1-methylguanidine
CID 159967357
3-(diaminomethylidene)-1,1-dimethylguanidine;5-[(3R)-dithiolan-3-yl]pentanoic acid
CID 23643140
3-(diaminomethylidene)-1,1-dimethylguanidine;2-[2-(2-hydroxybenzoyl)oxybenzoyl]oxybenzoic acid
CID 71471331
3-[amino-(ethylideneamino)methylidene]-1,1-dimethylguanidine
CID 161367334
3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 79006437
3-[(2-deuteriooxy-4-hydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;3-(diaminomethylidene)-1,1-dimethylguanidine
CID 90479987
3-(diaminomethylidene)-1,1-dimethylguanidine;2-(2,2-dicyclohexylethyl)piperidine
CID 91885566
3-(diaminomethylidene)-1,1-dimethylguanidine;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54738629
3-(diaminomethylidene)-1-methyl-1-octadecylguanidine
CID 3641541
acetic acid;N-(diaminomethylidene)acetamide;zirconium
CID 174956391
benzyl N-[N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]carbamate
CID 173007580

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine?
The IUPAC name of acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine (CID 24961549) is acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine.
What is the SMILES notation for acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine?
The canonical SMILES for acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine is CC(=O)O.[H]/N=C(/N=C(N)N)N(C)C.
What is the InChIKey of acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine?
The InChIKey is XADBMQVCRHIWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5.C2H4O2/c1-9(2)4(7)8-3(5)6;1-2(3)4/h1-2H3,(H5,5,6,7,8);1H3,(H,3,4).
What are the key properties of acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine?
acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine has a molecular weight of 189.22 g/mol, XLogP of -1.15, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine is sourced from PubChem (CID 24961549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).