3-N-(1-aminoethylidene)-1-N-(N'-methylcarbamimidoyl)propanediimidamide

C7H15N7 — CID 176533594

IUPAC3-N-(1-aminoethylidene)-1-N-(N'-methylcarbamimidoyl)propanediimidamide
SMILES[H]/N=C(C/C(=N/[H])N/C(N)=N/C)\N=C(/C)N
InChIInChI=1S/C7H15N7/c1-4(8)13-5(9)3-6(10)14-7(11)12-2/h3H2,1-2H3,(H3,8,9,13)(H4,10,11,12,14)
InChIKeyDJLWWEAKFCMPGQ-UHFFFAOYSA-N
MW197.25 g/mol
LogP-0.76
Rot. Bonds2

About 3-N-(1-aminoethylidene)-1-N-(N'-methylcarbamimidoyl)propanediimidamide

3-N-(1-aminoethylidene)-1-N-(N'-methylcarbamimidoyl)propanediimidamide (PubChem CID 176533594) has the molecular formula C7H15N7 and a molecular weight of 197.25 g/mol. Its IUPAC name is 3-N-(1-aminoethylidene)-1-N-(N'-methylcarbamimidoyl)propanediimidamide.

Molecular Properties

Compound Name3-N-(1-aminoethylidene)-1-N-(N'-methylcarbamimidoyl)propanediimidamide
PubChem CID176533594
Molecular FormulaC7H15N7
Molecular Weight197.25 g/mol
Exact Mass197.14
IUPAC Name3-N-(1-aminoethylidene)-1-N-(N'-methylcarbamimidoyl)propanediimidamide
SMILES[H]/N=C(C/C(=N/[H])N/C(N)=N/C)\N=C(/C)N
InChIInChI=1S/C7H15N7/c1-4(8)13-5(9)3-6(10)14-7(11)12-2/h3H2,1-2H3,(H3,8,9,13)(H4,10,11,12,14)
InChIKeyDJLWWEAKFCMPGQ-UHFFFAOYSA-N
XLogP-0.76
TPSA136.49 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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

N-(N'-methylcarbamimidoyl)ethanimidamide
CID 176526831
N-(1-aminoethylidene)-2-fluoroethanimidamide;1-N,3-N-bis(1-aminoethylidene)propanediimidamide
CID 161421983
N-(1-aminoethylidene)-2-(methylamino)ethanimidamide
CID 122487479
1-carbamimidoyl-2-methylguanidine;hydrochloride
CID 176516778
N'-carbamimidoylethanimidamide
CID 20603119
N-(N'-methylcarbamimidoyl)piperidine-1-carboximidamide;hydrochloride
CID 176523223
1,2-dimethylguanidine;2-methyl-1-(N'-methylcarbamimidoyl)guanidine
CID 160881255
1,1-dimethyl-3-(N'-methylcarbamimidoyl)guanidine;methane;(3R,4R,5R,6S)-3-methylnonane-4,5,6-triol
CID 176542682
1-[carbamimidoyl(ethyl)amino]-2-methylguanidine
CID 151745026
1-carbamimidoyl-2-methylguanidine;2-cyanoguanidine;methanamine;dihydrochloride
CID 176533244
1-methyl-3-(N'-methylcarbamimidoyl)-1-[2-[[N'-methyl-N-(N'-methylcarbamimidoyl)carbamimidoyl]amino]ethyl]guanidine
CID 176523291
ethanimidamide;guanidine
CID 160661984

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-aminoethylidene)-1-N-(N'-methylcarbamimidoyl)propanediimidamide?
The IUPAC name of 3-N-(1-aminoethylidene)-1-N-(N'-methylcarbamimidoyl)propanediimidamide (CID 176533594) is 3-N-(1-aminoethylidene)-1-N-(N'-methylcarbamimidoyl)propanediimidamide.
What is the SMILES notation for 3-N-(1-aminoethylidene)-1-N-(N'-methylcarbamimidoyl)propanediimidamide?
The canonical SMILES for 3-N-(1-aminoethylidene)-1-N-(N'-methylcarbamimidoyl)propanediimidamide is [H]/N=C(C/C(=N/[H])N/C(N)=N/C)\N=C(/C)N.
What is the InChIKey of 3-N-(1-aminoethylidene)-1-N-(N'-methylcarbamimidoyl)propanediimidamide?
The InChIKey is DJLWWEAKFCMPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N7/c1-4(8)13-5(9)3-6(10)14-7(11)12-2/h3H2,1-2H3,(H3,8,9,13)(H4,10,11,12,14).
What are the key properties of 3-N-(1-aminoethylidene)-1-N-(N'-methylcarbamimidoyl)propanediimidamide?
3-N-(1-aminoethylidene)-1-N-(N'-methylcarbamimidoyl)propanediimidamide has a molecular weight of 197.25 g/mol, XLogP of -0.76, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-aminoethylidene)-1-N-(N'-methylcarbamimidoyl)propanediimidamide is sourced from PubChem (CID 176533594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).