azane;1-propoxybutane

C7H19NO — CID 87292575

IUPACazane;1-propoxybutane
SMILESCCCCOCCC.N
InChIInChI=1S/C7H16O.H3N/c1-3-5-7-8-6-4-2;/h3-7H2,1-2H3;1H3
InChIKeyQEJDPBFQGRIIBP-UHFFFAOYSA-N
MW133.24 g/mol
LogP2.38
Rot. Bonds5

About azane;1-propoxybutane

azane;1-propoxybutane (PubChem CID 87292575) has the molecular formula C7H19NO and a molecular weight of 133.24 g/mol. Its IUPAC name is azane;1-propoxybutane.

Molecular Properties

Compound Nameazane;1-propoxybutane
PubChem CID87292575
Molecular FormulaC7H19NO
Molecular Weight133.24 g/mol
Exact Mass133.15
IUPAC Nameazane;1-propoxybutane
SMILESCCCCOCCC.N
InChIInChI=1S/C7H16O.H3N/c1-3-5-7-8-6-4-2;/h3-7H2,1-2H3;1H3
InChIKeyQEJDPBFQGRIIBP-UHFFFAOYSA-N
XLogP2.38
TPSA44.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.24
LogP ≤ 52.38
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

methane;1-propoxybutane
CID 162202436
ethane;1-(2-propoxyethoxy)butane
CID 164535746
azane;1-propoxyoctane
CID 88631627
butane;pentane;1-propoxybutane;1-(2-propoxyethoxy)butane
CID 167680049
1-propoxy-3-(3-propoxypropoxy)propane
CID 90943526
pentane;1-propoxypentane
CID 174500651
aluminum;1-butoxybutane;hydride
CID 174684135
1-butoxybutane;methoxymethane
CID 18401298
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175100397
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175351747
1-butoxypentane;niobium
CID 175363169
azane;1-tetradecoxytetradecane
CID 22505765

Frequently Asked Questions

What is the IUPAC name of azane;1-propoxybutane?
The IUPAC name of azane;1-propoxybutane (CID 87292575) is azane;1-propoxybutane.
What is the SMILES notation for azane;1-propoxybutane?
The canonical SMILES for azane;1-propoxybutane is CCCCOCCC.N.
What is the InChIKey of azane;1-propoxybutane?
The InChIKey is QEJDPBFQGRIIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.H3N/c1-3-5-7-8-6-4-2;/h3-7H2,1-2H3;1H3.
What are the key properties of azane;1-propoxybutane?
azane;1-propoxybutane has a molecular weight of 133.24 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-propoxybutane is sourced from PubChem (CID 87292575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).