1-(3-propoxypropyl)-1,5-diazocane

C12H26N2O — CID 82947499

IUPAC1-(3-propoxypropyl)-1,5-diazocane
SMILESCCCOCCCN1CCCNCCC1
InChIInChI=1S/C12H26N2O/c1-2-11-15-12-5-10-14-8-3-6-13-7-4-9-14/h13H,2-12H2,1H3
InChIKeyQOXFZGNKBWVDTI-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds6

About 1-(3-propoxypropyl)-1,5-diazocane

1-(3-propoxypropyl)-1,5-diazocane (PubChem CID 82947499) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(3-propoxypropyl)-1,5-diazocane.

Molecular Properties

Compound Name1-(3-propoxypropyl)-1,5-diazocane
PubChem CID82947499
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(3-propoxypropyl)-1,5-diazocane
SMILESCCCOCCCN1CCCNCCC1
InChIInChI=1S/C12H26N2O/c1-2-11-15-12-5-10-14-8-3-6-13-7-4-9-14/h13H,2-12H2,1H3
InChIKeyQOXFZGNKBWVDTI-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane
CID 104560345
3-methyl-1-(3-propoxypropyl)-1,5-diazocane
CID 82947242
4-ethyl-1-(3-propoxypropyl)-1,5-diazocane
CID 82947156
3-methyl-1-(3-propoxypropyl)-1,4-diazepane
CID 82947779
1-butyl-1,4-diazepane;ethane
CID 168976024
1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
CID 58400633
4-(3-ethoxypropyl)-1-oxa-4,9-diazacycloundecane
CID 142597171
1-pentylpiperidine;pyrrolidine
CID 69027489
2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide
CID 82939966
1-heptyl-1,4,8,11-tetrazacyclotetradecane
CID 101356970
1-[2-(2-decoxyethoxy)ethyl]piperidine
CID 175686195
3-ethyl-3-methyl-1-(2-propoxyethyl)-1,4-diazepane
CID 106458861

Frequently Asked Questions

What is the IUPAC name of 1-(3-propoxypropyl)-1,5-diazocane?
The IUPAC name of 1-(3-propoxypropyl)-1,5-diazocane (CID 82947499) is 1-(3-propoxypropyl)-1,5-diazocane.
What is the SMILES notation for 1-(3-propoxypropyl)-1,5-diazocane?
The canonical SMILES for 1-(3-propoxypropyl)-1,5-diazocane is CCCOCCCN1CCCNCCC1.
What is the InChIKey of 1-(3-propoxypropyl)-1,5-diazocane?
The InChIKey is QOXFZGNKBWVDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-2-11-15-12-5-10-14-8-3-6-13-7-4-9-14/h13H,2-12H2,1H3.
What are the key properties of 1-(3-propoxypropyl)-1,5-diazocane?
1-(3-propoxypropyl)-1,5-diazocane has a molecular weight of 214.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propoxypropyl)-1,5-diazocane is sourced from PubChem (CID 82947499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).