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

C18H41N7 — CID 139596237

IUPAC1-(8-aminooctyl)-1-[8-(diaminomethylideneamino)octyl]guanidine
SMILES[H]/N=C(\N)N(CCCCCCCCN)CCCCCCCCN=C(N)N
InChIInChI=1S/C18H41N7/c19-13-9-5-1-3-7-11-15-25(18(22)23)16-12-8-4-2-6-10-14-24-17(20)21/h1-16,19H2,(H3,22,23)(H4,20,21,24)
InChIKeyNJASWEVIQZJUOK-UHFFFAOYSA-N
MW355.58 g/mol
LogP2.10
Rot. Bonds17

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

1-(8-aminooctyl)-1-[8-(diaminomethylideneamino)octyl]guanidine (PubChem CID 139596237) has the molecular formula C18H41N7 and a molecular weight of 355.58 g/mol. Its IUPAC name is 1-(8-aminooctyl)-1-[8-(diaminomethylideneamino)octyl]guanidine.

Molecular Properties

Compound Name1-(8-aminooctyl)-1-[8-(diaminomethylideneamino)octyl]guanidine
PubChem CID139596237
Molecular FormulaC18H41N7
Molecular Weight355.58 g/mol
Exact Mass355.34
IUPAC Name1-(8-aminooctyl)-1-[8-(diaminomethylideneamino)octyl]guanidine
SMILES[H]/N=C(\N)N(CCCCCCCCN)CCCCCCCCN=C(N)N
InChIInChI=1S/C18H41N7/c19-13-9-5-1-3-7-11-15-25(18(22)23)16-12-8-4-2-6-10-14-24-17(20)21/h1-16,19H2,(H3,22,23)(H4,20,21,24)
InChIKeyNJASWEVIQZJUOK-UHFFFAOYSA-N
XLogP2.10
TPSA143.53 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.58
LogP ≤ 52.10
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'}

Analyze 1-(8-aminooctyl)-1-[8-(diaminomethylideneamino)octyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(8-aminooctyl)-1-[8-(diaminomethylideneamino)octyl]guanidine?
The IUPAC name of 1-(8-aminooctyl)-1-[8-(diaminomethylideneamino)octyl]guanidine (CID 139596237) is 1-(8-aminooctyl)-1-[8-(diaminomethylideneamino)octyl]guanidine.
What is the SMILES notation for 1-(8-aminooctyl)-1-[8-(diaminomethylideneamino)octyl]guanidine?
The canonical SMILES for 1-(8-aminooctyl)-1-[8-(diaminomethylideneamino)octyl]guanidine is [H]/N=C(\N)N(CCCCCCCCN)CCCCCCCCN=C(N)N.
What is the InChIKey of 1-(8-aminooctyl)-1-[8-(diaminomethylideneamino)octyl]guanidine?
The InChIKey is NJASWEVIQZJUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41N7/c19-13-9-5-1-3-7-11-15-25(18(22)23)16-12-8-4-2-6-10-14-24-17(20)21/h1-16,19H2,(H3,22,23)(H4,20,21,24).
What are the key properties of 1-(8-aminooctyl)-1-[8-(diaminomethylideneamino)octyl]guanidine?
1-(8-aminooctyl)-1-[8-(diaminomethylideneamino)octyl]guanidine has a molecular weight of 355.58 g/mol, XLogP of 2.10, 17 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-aminooctyl)-1-[8-(diaminomethylideneamino)octyl]guanidine is sourced from PubChem (CID 139596237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).