azane;1-propoxyoctane

C11H27NO — CID 88631627

IUPACazane;1-propoxyoctane
SMILESCCCCCCCCOCCC.N
InChIInChI=1S/C11H24O.H3N/c1-3-5-6-7-8-9-11-12-10-4-2;/h3-11H2,1-2H3;1H3
InChIKeyQQHDZWCUHRANNC-UHFFFAOYSA-N
MW189.34 g/mol
LogP3.94
Rot. Bonds9

About azane;1-propoxyoctane

azane;1-propoxyoctane (PubChem CID 88631627) has the molecular formula C11H27NO and a molecular weight of 189.34 g/mol. Its IUPAC name is azane;1-propoxyoctane.

Molecular Properties

Compound Nameazane;1-propoxyoctane
PubChem CID88631627
Molecular FormulaC11H27NO
Molecular Weight189.34 g/mol
Exact Mass189.21
IUPAC Nameazane;1-propoxyoctane
SMILESCCCCCCCCOCCC.N
InChIInChI=1S/C11H24O.H3N/c1-3-5-6-7-8-9-11-12-10-4-2;/h3-11H2,1-2H3;1H3
InChIKeyQQHDZWCUHRANNC-UHFFFAOYSA-N
XLogP3.94
TPSA44.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;1-decoxydecane
CID 87410134
azane;1-tetradecoxytetradecane
CID 22505765
pentane;1-propoxypentane
CID 174500651
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-(2-decoxyethoxy)decane
CID 14009354

Frequently Asked Questions

What is the IUPAC name of azane;1-propoxyoctane?
The IUPAC name of azane;1-propoxyoctane (CID 88631627) is azane;1-propoxyoctane.
What is the SMILES notation for azane;1-propoxyoctane?
The canonical SMILES for azane;1-propoxyoctane is CCCCCCCCOCCC.N.
What is the InChIKey of azane;1-propoxyoctane?
The InChIKey is QQHDZWCUHRANNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O.H3N/c1-3-5-6-7-8-9-11-12-10-4-2;/h3-11H2,1-2H3;1H3.
What are the key properties of azane;1-propoxyoctane?
azane;1-propoxyoctane has a molecular weight of 189.34 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-propoxyoctane is sourced from PubChem (CID 88631627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).