octane-1,2,7,8-tetramine

C8H22N4 — CID 19378223

IUPACoctane-1,2,7,8-tetramine
SMILESNCC(N)CCCCC(N)CN
InChIInChI=1S/C8H22N4/c9-5-7(11)3-1-2-4-8(12)6-10/h7-8H,1-6,9-12H2
InChIKeySRGBVXWKCOEGJK-UHFFFAOYSA-N
MW174.29 g/mol
LogP-0.88
Rot. Bonds7

About octane-1,2,7,8-tetramine

octane-1,2,7,8-tetramine (PubChem CID 19378223) has the molecular formula C8H22N4 and a molecular weight of 174.29 g/mol. Its IUPAC name is octane-1,2,7,8-tetramine.

Molecular Properties

Compound Nameoctane-1,2,7,8-tetramine
PubChem CID19378223
Molecular FormulaC8H22N4
Molecular Weight174.29 g/mol
Exact Mass174.18
IUPAC Nameoctane-1,2,7,8-tetramine
SMILESNCC(N)CCCCC(N)CN
InChIInChI=1S/C8H22N4/c9-5-7(11)3-1-2-4-8(12)6-10/h7-8H,1-6,9-12H2
InChIKeySRGBVXWKCOEGJK-UHFFFAOYSA-N
XLogP-0.88
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze octane-1,2,7,8-tetramine 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 octane-1,2,7,8-tetramine?
The IUPAC name of octane-1,2,7,8-tetramine (CID 19378223) is octane-1,2,7,8-tetramine.
What is the SMILES notation for octane-1,2,7,8-tetramine?
The canonical SMILES for octane-1,2,7,8-tetramine is NCC(N)CCCCC(N)CN.
What is the InChIKey of octane-1,2,7,8-tetramine?
The InChIKey is SRGBVXWKCOEGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N4/c9-5-7(11)3-1-2-4-8(12)6-10/h7-8H,1-6,9-12H2.
What are the key properties of octane-1,2,7,8-tetramine?
octane-1,2,7,8-tetramine has a molecular weight of 174.29 g/mol, XLogP of -0.88, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octane-1,2,7,8-tetramine is sourced from PubChem (CID 19378223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).