8,8-diaminooctan-1-ol

C8H20N2O — CID 150598575

IUPAC8,8-diaminooctan-1-ol
SMILESNC(N)CCCCCCCO
InChIInChI=1S/C8H20N2O/c9-8(10)6-4-2-1-3-5-7-11/h8,11H,1-7,9-10H2
InChIKeyIRJRUHLVZNTFIU-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.56
Rot. Bonds7

About 8,8-diaminooctan-1-ol

8,8-diaminooctan-1-ol (PubChem CID 150598575) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 8,8-diaminooctan-1-ol.

Molecular Properties

Compound Name8,8-diaminooctan-1-ol
PubChem CID150598575
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name8,8-diaminooctan-1-ol
SMILESNC(N)CCCCCCCO
InChIInChI=1S/C8H20N2O/c9-8(10)6-4-2-1-3-5-7-11/h8,11H,1-7,9-10H2
InChIKeyIRJRUHLVZNTFIU-UHFFFAOYSA-N
XLogP0.56
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,8-diaminooctan-1-ol?
The IUPAC name of 8,8-diaminooctan-1-ol (CID 150598575) is 8,8-diaminooctan-1-ol.
What is the SMILES notation for 8,8-diaminooctan-1-ol?
The canonical SMILES for 8,8-diaminooctan-1-ol is NC(N)CCCCCCCO.
What is the InChIKey of 8,8-diaminooctan-1-ol?
The InChIKey is IRJRUHLVZNTFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c9-8(10)6-4-2-1-3-5-7-11/h8,11H,1-7,9-10H2.
What are the key properties of 8,8-diaminooctan-1-ol?
8,8-diaminooctan-1-ol has a molecular weight of 160.26 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-diaminooctan-1-ol is sourced from PubChem (CID 150598575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).