1,1-bis(8-aminooctyl)guanidine

C17H39N5 — CID 139596653

IUPAC1,1-bis(8-aminooctyl)guanidine
SMILES[H]/N=C(\N)N(CCCCCCCCN)CCCCCCCCN
InChIInChI=1S/C17H39N5/c18-13-9-5-1-3-7-11-15-22(17(20)21)16-12-8-4-2-6-10-14-19/h1-16,18-19H2,(H3,20,21)
InChIKeyPQJKZAKANYIISG-UHFFFAOYSA-N
MW313.53 g/mol
LogP2.78
Rot. Bonds16

About 1,1-bis(8-aminooctyl)guanidine

1,1-bis(8-aminooctyl)guanidine (PubChem CID 139596653) has the molecular formula C17H39N5 and a molecular weight of 313.53 g/mol. Its IUPAC name is 1,1-bis(8-aminooctyl)guanidine.

Molecular Properties

Compound Name1,1-bis(8-aminooctyl)guanidine
PubChem CID139596653
Molecular FormulaC17H39N5
Molecular Weight313.53 g/mol
Exact Mass313.32
IUPAC Name1,1-bis(8-aminooctyl)guanidine
SMILES[H]/N=C(\N)N(CCCCCCCCN)CCCCCCCCN
InChIInChI=1S/C17H39N5/c18-13-9-5-1-3-7-11-15-22(17(20)21)16-12-8-4-2-6-10-14-19/h1-16,18-19H2,(H3,20,21)
InChIKeyPQJKZAKANYIISG-UHFFFAOYSA-N
XLogP2.78
TPSA105.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 52.78
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(8-aminooctyl)guanidine?
The IUPAC name of 1,1-bis(8-aminooctyl)guanidine (CID 139596653) is 1,1-bis(8-aminooctyl)guanidine.
What is the SMILES notation for 1,1-bis(8-aminooctyl)guanidine?
The canonical SMILES for 1,1-bis(8-aminooctyl)guanidine is [H]/N=C(\N)N(CCCCCCCCN)CCCCCCCCN.
What is the InChIKey of 1,1-bis(8-aminooctyl)guanidine?
The InChIKey is PQJKZAKANYIISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N5/c18-13-9-5-1-3-7-11-15-22(17(20)21)16-12-8-4-2-6-10-14-19/h1-16,18-19H2,(H3,20,21).
What are the key properties of 1,1-bis(8-aminooctyl)guanidine?
1,1-bis(8-aminooctyl)guanidine has a molecular weight of 313.53 g/mol, XLogP of 2.78, 16 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(8-aminooctyl)guanidine is sourced from PubChem (CID 139596653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).