3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine

C7H18N6 — CID 79006437

IUPAC3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine
SMILES[H]/N=C(/N=C(N)N)N(C)CCN(C)C
InChIInChI=1S/C7H18N6/c1-12(2)4-5-13(3)7(10)11-6(8)9/h4-5H2,1-3H3,(H5,8,9,10,11)
InChIKeyNYNKOVJLONUPRJ-UHFFFAOYSA-N
MW186.26 g/mol
LogP-1.31
Rot. Bonds3

About 3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine

3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine (PubChem CID 79006437) has the molecular formula C7H18N6 and a molecular weight of 186.26 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine.

Molecular Properties

Compound Name3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine
PubChem CID79006437
Molecular FormulaC7H18N6
Molecular Weight186.26 g/mol
Exact Mass186.16
IUPAC Name3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine
SMILES[H]/N=C(/N=C(N)N)N(C)CCN(C)C
InChIInChI=1S/C7H18N6/c1-12(2)4-5-13(3)7(10)11-6(8)9/h4-5H2,1-3H3,(H5,8,9,10,11)
InChIKeyNYNKOVJLONUPRJ-UHFFFAOYSA-N
XLogP-1.31
TPSA94.73 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
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-methyl-1-octadecylguanidine
CID 3641541
3-(diaminomethylidene)-1-methyl-1-tridecylguanidine;hydrochloride
CID 86657167
acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine
CID 24961549
N'-[N-amino-N-[2-(dimethylamino)ethyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide
CID 144894450
3-(diaminomethylidene)-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 83031652
2-aminoacetic acid;3-(diaminomethylidene)-1-iodo-1-methylguanidine
CID 159967357
3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid
CID 46892505
3-(diaminomethylidene)-1-methyl-1-(2,4,6-trimethylphenyl)guanidine
CID 20543702
3-(dimethylamino)propanimidamide;dihydrochloride
CID 47002520
1-cyclohexyl-3-(diaminomethylidene)-1-ethylguanidine
CID 18769868
3-(diaminomethylidene)-1-(2,6-dimethylphenyl)-1-methylguanidine
CID 20543698
N'-[(Z)-3-imino-2-methyl-1-(methylideneamino)but-1-enyl]-N,N,N'-trimethylethane-1,2-diamine
CID 90453765

Frequently Asked Questions

What is the IUPAC name of 3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine?
The IUPAC name of 3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine (CID 79006437) is 3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine.
What is the SMILES notation for 3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine?
The canonical SMILES for 3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine is [H]/N=C(/N=C(N)N)N(C)CCN(C)C.
What is the InChIKey of 3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine?
The InChIKey is NYNKOVJLONUPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N6/c1-12(2)4-5-13(3)7(10)11-6(8)9/h4-5H2,1-3H3,(H5,8,9,10,11).
What are the key properties of 3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine?
3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine has a molecular weight of 186.26 g/mol, XLogP of -1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine is sourced from PubChem (CID 79006437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).