2-[6-(diaminomethylideneamino)hexyl]guanidine;dihydrochloride

C8H22Cl2N6 — CID 75422421

IUPAC2-[6-(diaminomethylideneamino)hexyl]guanidine;dihydrochloride
SMILESCl.Cl.NC(N)=NCCCCCCN=C(N)N
InChIInChI=1S/C8H20N6.2ClH/c9-7(10)13-5-3-1-2-4-6-14-8(11)12;;/h1-6H2,(H4,9,10,13)(H4,11,12,14);2*1H
InChIKeyNXWPVVJWQXXMDR-UHFFFAOYSA-N
MW273.21 g/mol
LogP-0.06
Rot. Bonds7

About 2-[6-(diaminomethylideneamino)hexyl]guanidine;dihydrochloride

2-[6-(diaminomethylideneamino)hexyl]guanidine;dihydrochloride (PubChem CID 75422421) has the molecular formula C8H22Cl2N6 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2-[6-(diaminomethylideneamino)hexyl]guanidine;dihydrochloride.

Molecular Properties

Compound Name2-[6-(diaminomethylideneamino)hexyl]guanidine;dihydrochloride
PubChem CID75422421
Molecular FormulaC8H22Cl2N6
Molecular Weight273.21 g/mol
Exact Mass272.13
IUPAC Name2-[6-(diaminomethylideneamino)hexyl]guanidine;dihydrochloride
SMILESCl.Cl.NC(N)=NCCCCCCN=C(N)N
InChIInChI=1S/C8H20N6.2ClH/c9-7(10)13-5-3-1-2-4-6-14-8(11)12;;/h1-6H2,(H4,9,10,13)(H4,11,12,14);2*1H
InChIKeyNXWPVVJWQXXMDR-UHFFFAOYSA-N
XLogP-0.06
TPSA128.80 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(diaminomethylideneamino)hexyl]guanidine;dihydrochloride?
The IUPAC name of 2-[6-(diaminomethylideneamino)hexyl]guanidine;dihydrochloride (CID 75422421) is 2-[6-(diaminomethylideneamino)hexyl]guanidine;dihydrochloride.
What is the SMILES notation for 2-[6-(diaminomethylideneamino)hexyl]guanidine;dihydrochloride?
The canonical SMILES for 2-[6-(diaminomethylideneamino)hexyl]guanidine;dihydrochloride is Cl.Cl.NC(N)=NCCCCCCN=C(N)N.
What is the InChIKey of 2-[6-(diaminomethylideneamino)hexyl]guanidine;dihydrochloride?
The InChIKey is NXWPVVJWQXXMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N6.2ClH/c9-7(10)13-5-3-1-2-4-6-14-8(11)12;;/h1-6H2,(H4,9,10,13)(H4,11,12,14);2*1H.
What are the key properties of 2-[6-(diaminomethylideneamino)hexyl]guanidine;dihydrochloride?
2-[6-(diaminomethylideneamino)hexyl]guanidine;dihydrochloride has a molecular weight of 273.21 g/mol, XLogP of -0.06, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(diaminomethylideneamino)hexyl]guanidine;dihydrochloride is sourced from PubChem (CID 75422421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).