8-aminooctane-1,1,1,2,2,3,3-heptol

C8H19NO7 — CID 90384745

IUPAC8-aminooctane-1,1,1,2,2,3,3-heptol
SMILESNCCCCCC(O)(O)C(O)(O)C(O)(O)O
InChIInChI=1S/C8H19NO7/c9-5-3-1-2-4-6(10,11)7(12,13)8(14,15)16/h10-16H,1-5,9H2
InChIKeyLMUNOEALBNORIR-UHFFFAOYSA-N
MW241.24 g/mol
LogP-3.50
Rot. Bonds7

About 8-aminooctane-1,1,1,2,2,3,3-heptol

8-aminooctane-1,1,1,2,2,3,3-heptol (PubChem CID 90384745) has the molecular formula C8H19NO7 and a molecular weight of 241.24 g/mol. Its IUPAC name is 8-aminooctane-1,1,1,2,2,3,3-heptol.

Molecular Properties

Compound Name8-aminooctane-1,1,1,2,2,3,3-heptol
PubChem CID90384745
Molecular FormulaC8H19NO7
Molecular Weight241.24 g/mol
Exact Mass241.12
IUPAC Name8-aminooctane-1,1,1,2,2,3,3-heptol
SMILESNCCCCCC(O)(O)C(O)(O)C(O)(O)O
InChIInChI=1S/C8H19NO7/c9-5-3-1-2-4-6(10,11)7(12,13)8(14,15)16/h10-16H,1-5,9H2
InChIKeyLMUNOEALBNORIR-UHFFFAOYSA-N
XLogP-3.50
TPSA167.63 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.24
LogP ≤ 5-3.50
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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-aminooctane-1,1,1,2,2,3,3-heptol?
The IUPAC name of 8-aminooctane-1,1,1,2,2,3,3-heptol (CID 90384745) is 8-aminooctane-1,1,1,2,2,3,3-heptol.
What is the SMILES notation for 8-aminooctane-1,1,1,2,2,3,3-heptol?
The canonical SMILES for 8-aminooctane-1,1,1,2,2,3,3-heptol is NCCCCCC(O)(O)C(O)(O)C(O)(O)O.
What is the InChIKey of 8-aminooctane-1,1,1,2,2,3,3-heptol?
The InChIKey is LMUNOEALBNORIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO7/c9-5-3-1-2-4-6(10,11)7(12,13)8(14,15)16/h10-16H,1-5,9H2.
What are the key properties of 8-aminooctane-1,1,1,2,2,3,3-heptol?
8-aminooctane-1,1,1,2,2,3,3-heptol has a molecular weight of 241.24 g/mol, XLogP of -3.50, 7 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminooctane-1,1,1,2,2,3,3-heptol is sourced from PubChem (CID 90384745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).