2-[1-[[amino(carbamimidamido)methylidene]amino]propyl]-1-carbamimidoylguanidine

C7H18N10 — CID 176524679

IUPAC2-[1-[[amino(carbamimidamido)methylidene]amino]propyl]-1-carbamimidoylguanidine
SMILES[H]/N=C(\N)NC(N)=NC(CC)N=C(N)N/C(N)=N/[H]
InChIInChI=1S/C7H18N10/c1-2-3(14-6(12)16-4(8)9)15-7(13)17-5(10)11/h3H,2H2,1H3,(H6,8,9,12,14,16)(H6,10,11,13,15,17)
InChIKeyXXIXSHKMUXNYPT-UHFFFAOYSA-N
MW242.29 g/mol
LogP-2.68
Rot. Bonds3

About 2-[1-[[amino(carbamimidamido)methylidene]amino]propyl]-1-carbamimidoylguanidine

2-[1-[[amino(carbamimidamido)methylidene]amino]propyl]-1-carbamimidoylguanidine (PubChem CID 176524679) has the molecular formula C7H18N10 and a molecular weight of 242.29 g/mol. Its IUPAC name is 2-[1-[[amino(carbamimidamido)methylidene]amino]propyl]-1-carbamimidoylguanidine.

Molecular Properties

Compound Name2-[1-[[amino(carbamimidamido)methylidene]amino]propyl]-1-carbamimidoylguanidine
PubChem CID176524679
Molecular FormulaC7H18N10
Molecular Weight242.29 g/mol
Exact Mass242.17
IUPAC Name2-[1-[[amino(carbamimidamido)methylidene]amino]propyl]-1-carbamimidoylguanidine
SMILES[H]/N=C(\N)NC(N)=NC(CC)N=C(N)N/C(N)=N/[H]
InChIInChI=1S/C7H18N10/c1-2-3(14-6(12)16-4(8)9)15-7(13)17-5(10)11/h3H,2H2,1H3,(H6,8,9,12,14,16)(H6,10,11,13,15,17)
InChIKeyXXIXSHKMUXNYPT-UHFFFAOYSA-N
XLogP-2.68
TPSA200.56 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.29
LogP ≤ 5-2.68
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

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

1-carbamimidoyl-2-[1-(dimethylamino)propan-2-yl]guanidine
CID 176520724
1-carbamimidoyl-2-(6-chlorohexan-3-yl)guanidine;hydrochloride
CID 176522828
1-carbamimidoyl-2-(4-methoxybutan-2-yl)guanidine
CID 176546881
1-carbamimidoyl-2-methylguanidine;hydrochloride
CID 176516778
1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine
CID 176546971
2-[[amino(carbamimidamido)methylidene]amino]octanoic acid
CID 176529270
1-carbamimidoyl-2-(3-methylbutyl)guanidine
CID 176524871
1-carbamimidoyl-2-(2-ethylhexyl)guanidine;hydrochloride
CID 176518157
1-carbamimidoyl-2-hexylguanidine
CID 176518657
2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
1-carbamimidoyl-2-(2-ethoxyethyl)guanidine
CID 176530165
2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
CID 176524022

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[amino(carbamimidamido)methylidene]amino]propyl]-1-carbamimidoylguanidine?
The IUPAC name of 2-[1-[[amino(carbamimidamido)methylidene]amino]propyl]-1-carbamimidoylguanidine (CID 176524679) is 2-[1-[[amino(carbamimidamido)methylidene]amino]propyl]-1-carbamimidoylguanidine.
What is the SMILES notation for 2-[1-[[amino(carbamimidamido)methylidene]amino]propyl]-1-carbamimidoylguanidine?
The canonical SMILES for 2-[1-[[amino(carbamimidamido)methylidene]amino]propyl]-1-carbamimidoylguanidine is [H]/N=C(\N)NC(N)=NC(CC)N=C(N)N/C(N)=N/[H].
What is the InChIKey of 2-[1-[[amino(carbamimidamido)methylidene]amino]propyl]-1-carbamimidoylguanidine?
The InChIKey is XXIXSHKMUXNYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N10/c1-2-3(14-6(12)16-4(8)9)15-7(13)17-5(10)11/h3H,2H2,1H3,(H6,8,9,12,14,16)(H6,10,11,13,15,17).
What are the key properties of 2-[1-[[amino(carbamimidamido)methylidene]amino]propyl]-1-carbamimidoylguanidine?
2-[1-[[amino(carbamimidamido)methylidene]amino]propyl]-1-carbamimidoylguanidine has a molecular weight of 242.29 g/mol, XLogP of -2.68, 3 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[amino(carbamimidamido)methylidene]amino]propyl]-1-carbamimidoylguanidine is sourced from PubChem (CID 176524679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).