1-amino-1-[2-[amino(carbamimidoyl)amino]ethyl]guanidine;dihydrochloride

C4H16Cl2N8 — CID 173440460

IUPAC1-amino-1-[2-[amino(carbamimidoyl)amino]ethyl]guanidine;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)N(N)CCN(N)/C(N)=N/[H]
InChIInChI=1S/C4H14N8.2ClH/c5-3(6)11(9)1-2-12(10)4(7)8;;/h1-2,9-10H2,(H3,5,6)(H3,7,8);2*1H
InChIKeyKQLKDGFCPQIVMO-UHFFFAOYSA-N
MW247.13 g/mol
LogP-2.03
Rot. Bonds3

About 1-amino-1-[2-[amino(carbamimidoyl)amino]ethyl]guanidine;dihydrochloride

1-amino-1-[2-[amino(carbamimidoyl)amino]ethyl]guanidine;dihydrochloride (PubChem CID 173440460) has the molecular formula C4H16Cl2N8 and a molecular weight of 247.13 g/mol. Its IUPAC name is 1-amino-1-[2-[amino(carbamimidoyl)amino]ethyl]guanidine;dihydrochloride.

Molecular Properties

Compound Name1-amino-1-[2-[amino(carbamimidoyl)amino]ethyl]guanidine;dihydrochloride
PubChem CID173440460
Molecular FormulaC4H16Cl2N8
Molecular Weight247.13 g/mol
Exact Mass246.09
IUPAC Name1-amino-1-[2-[amino(carbamimidoyl)amino]ethyl]guanidine;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)N(N)CCN(N)/C(N)=N/[H]
InChIInChI=1S/C4H14N8.2ClH/c5-3(6)11(9)1-2-12(10)4(7)8;;/h1-2,9-10H2,(H3,5,6)(H3,7,8);2*1H
InChIKeyKQLKDGFCPQIVMO-UHFFFAOYSA-N
XLogP-2.03
TPSA158.26 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.13
LogP ≤ 5-2.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Amino-1-[2-[amino(carbamimidoyl)amino]ethyl]guanidine
CID 21709402
1-Amino-1-[2-(dimethylamino)ethyl]guanidine
CID 55284938
1,2-Diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine
CID 57211337
1-Amino-1-[2-(diethylamino)ethyl]guanidine
CID 88441625
Amino-[2-[amino(carbamimidoyl)azaniumyl]ethyl]-carbamimidoylazanium dichloride
CID 88775277
Amino-[2-(carbamimidoylazaniumyl)ethyl]-carbamohydrazonoylazanium dichloride
CID 161679262
1,2-Diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine;dihydrochloride
CID 173440206

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[2-[amino(carbamimidoyl)amino]ethyl]guanidine;dihydrochloride?
The IUPAC name of 1-amino-1-[2-[amino(carbamimidoyl)amino]ethyl]guanidine;dihydrochloride (CID 173440460) is 1-amino-1-[2-[amino(carbamimidoyl)amino]ethyl]guanidine;dihydrochloride.
What is the SMILES notation for 1-amino-1-[2-[amino(carbamimidoyl)amino]ethyl]guanidine;dihydrochloride?
The canonical SMILES for 1-amino-1-[2-[amino(carbamimidoyl)amino]ethyl]guanidine;dihydrochloride is Cl.Cl.[H]/N=C(\N)N(N)CCN(N)/C(N)=N/[H].
What is the InChIKey of 1-amino-1-[2-[amino(carbamimidoyl)amino]ethyl]guanidine;dihydrochloride?
The InChIKey is KQLKDGFCPQIVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14N8.2ClH/c5-3(6)11(9)1-2-12(10)4(7)8;;/h1-2,9-10H2,(H3,5,6)(H3,7,8);2*1H.
What are the key properties of 1-amino-1-[2-[amino(carbamimidoyl)amino]ethyl]guanidine;dihydrochloride?
1-amino-1-[2-[amino(carbamimidoyl)amino]ethyl]guanidine;dihydrochloride has a molecular weight of 247.13 g/mol, XLogP of -2.03, 3 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[2-[amino(carbamimidoyl)amino]ethyl]guanidine;dihydrochloride is sourced from PubChem (CID 173440460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).