1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine

C18H40N6O — CID 176522885

IUPAC1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine
SMILES[H]/N=C(\N)NCCCCCCCCOCCCCCCCCN=C(N)N
InChIInChI=1S/C18H40N6O/c19-17(20)23-13-9-5-1-3-7-11-15-25-16-12-8-4-2-6-10-14-24-18(21)22/h1-16H2,(H4,19,20,23)(H4,21,22,24)
InChIKeyCNCCKZXBYLXEIA-UHFFFAOYSA-N
MW356.56 g/mol
LogP2.44
Rot. Bonds18

About 1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine

1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine (PubChem CID 176522885) has the molecular formula C18H40N6O and a molecular weight of 356.56 g/mol. Its IUPAC name is 1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine.

Molecular Properties

Compound Name1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine
PubChem CID176522885
Molecular FormulaC18H40N6O
Molecular Weight356.56 g/mol
Exact Mass356.33
IUPAC Name1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine
SMILES[H]/N=C(\N)NCCCCCCCCOCCCCCCCCN=C(N)N
InChIInChI=1S/C18H40N6O/c19-17(20)23-13-9-5-1-3-7-11-15-25-16-12-8-4-2-6-10-14-24-18(21)22/h1-16H2,(H4,19,20,23)(H4,21,22,24)
InChIKeyCNCCKZXBYLXEIA-UHFFFAOYSA-N
XLogP2.44
TPSA135.53 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 52.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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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Related Compounds

1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride
CID 176518301
1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride
CID 176533607
CID 176532250
CID 176532250
1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid
CID 176530052
chlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine
CID 176532079
1-(9-carbamimidamidononyl)guanidine
CID 176533990
1-[3-[3-(diaminomethylideneamino)propyltetrasulfanyl]propyl]guanidine
CID 176524133
2-(6-carbamimidamidohexyl)-1-cyanoguanidine
CID 176546132
1-[8-[8-(diaminomethylideneamino)octylamino]octyl]guanidine;tris(2-prop-2-enylbenzenesulfonic acid)
CID 176528703
1-(8-carbamimidamidooctyl)-3-[8-[[N'-(cyclopropylmethyl)carbamimidoyl]amino]octyl]-1,3-bis[8-(diaminomethylideneamino)octyl]urea;2,2,2-trifluoroacetic acid
CID 176545449
1,3-bis(diaminomethylidene)guanidine;1-carbamimidoylguanidine;1-[2-(diaminomethylideneamino)ethyl]guanidine
CID 176518855
2-[6-imino-11-(methylamino)undecyl]guanidine
CID 58076497

Frequently Asked Questions

What is the IUPAC name of 1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine?
The IUPAC name of 1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine (CID 176522885) is 1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine.
What is the SMILES notation for 1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine?
The canonical SMILES for 1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine is [H]/N=C(\N)NCCCCCCCCOCCCCCCCCN=C(N)N.
What is the InChIKey of 1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine?
The InChIKey is CNCCKZXBYLXEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N6O/c19-17(20)23-13-9-5-1-3-7-11-15-25-16-12-8-4-2-6-10-14-24-18(21)22/h1-16H2,(H4,19,20,23)(H4,21,22,24).
What are the key properties of 1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine?
1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine has a molecular weight of 356.56 g/mol, XLogP of 2.44, 18 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine is sourced from PubChem (CID 176522885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).