8-(6-aminohexoxy)-8-methylnonan-1-amine

C16H36N2O — CID 88529911

IUPAC8-(6-aminohexoxy)-8-methylnonan-1-amine
SMILESCC(C)(CCCCCCCN)OCCCCCCN
InChIInChI=1S/C16H36N2O/c1-16(2,12-8-4-3-5-9-13-17)19-15-11-7-6-10-14-18/h3-15,17-18H2,1-2H3
InChIKeyWEKFXEJOYZZCAW-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.60
Rot. Bonds14

About 8-(6-aminohexoxy)-8-methylnonan-1-amine

8-(6-aminohexoxy)-8-methylnonan-1-amine (PubChem CID 88529911) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 8-(6-aminohexoxy)-8-methylnonan-1-amine.

Molecular Properties

Compound Name8-(6-aminohexoxy)-8-methylnonan-1-amine
PubChem CID88529911
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name8-(6-aminohexoxy)-8-methylnonan-1-amine
SMILESCC(C)(CCCCCCCN)OCCCCCCN
InChIInChI=1S/C16H36N2O/c1-16(2,12-8-4-3-5-9-13-17)19-15-11-7-6-10-14-18/h3-15,17-18H2,1-2H3
InChIKeyWEKFXEJOYZZCAW-UHFFFAOYSA-N
XLogP3.60
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(6-aminohexoxy)-8-methylnonan-1-amine?
The IUPAC name of 8-(6-aminohexoxy)-8-methylnonan-1-amine (CID 88529911) is 8-(6-aminohexoxy)-8-methylnonan-1-amine.
What is the SMILES notation for 8-(6-aminohexoxy)-8-methylnonan-1-amine?
The canonical SMILES for 8-(6-aminohexoxy)-8-methylnonan-1-amine is CC(C)(CCCCCCCN)OCCCCCCN.
What is the InChIKey of 8-(6-aminohexoxy)-8-methylnonan-1-amine?
The InChIKey is WEKFXEJOYZZCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-16(2,12-8-4-3-5-9-13-17)19-15-11-7-6-10-14-18/h3-15,17-18H2,1-2H3.
What are the key properties of 8-(6-aminohexoxy)-8-methylnonan-1-amine?
8-(6-aminohexoxy)-8-methylnonan-1-amine has a molecular weight of 272.48 g/mol, XLogP of 3.60, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-aminohexoxy)-8-methylnonan-1-amine is sourced from PubChem (CID 88529911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).