1-(1-prop-2-enylcyclooctyl)-1,4-diazocane

C17H32N2 — CID 175317080

IUPAC1-(1-prop-2-enylcyclooctyl)-1,4-diazocane
SMILESC=CCC1(N2CCCCNCC2)CCCCCCC1
InChIInChI=1S/C17H32N2/c1-2-10-17(11-6-4-3-5-7-12-17)19-15-9-8-13-18-14-16-19/h2,18H,1,3-16H2
InChIKeyOLMNNALZMRIDTG-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.73
Rot. Bonds3

About 1-(1-prop-2-enylcyclooctyl)-1,4-diazocane

1-(1-prop-2-enylcyclooctyl)-1,4-diazocane (PubChem CID 175317080) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-(1-prop-2-enylcyclooctyl)-1,4-diazocane.

Molecular Properties

Compound Name1-(1-prop-2-enylcyclooctyl)-1,4-diazocane
PubChem CID175317080
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-(1-prop-2-enylcyclooctyl)-1,4-diazocane
SMILESC=CCC1(N2CCCCNCC2)CCCCCCC1
InChIInChI=1S/C17H32N2/c1-2-10-17(11-6-4-3-5-7-12-17)19-15-9-8-13-18-14-16-19/h2,18H,1,3-16H2
InChIKeyOLMNNALZMRIDTG-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-2-enylcyclooctyl)-1,4-diazocane?
The IUPAC name of 1-(1-prop-2-enylcyclooctyl)-1,4-diazocane (CID 175317080) is 1-(1-prop-2-enylcyclooctyl)-1,4-diazocane.
What is the SMILES notation for 1-(1-prop-2-enylcyclooctyl)-1,4-diazocane?
The canonical SMILES for 1-(1-prop-2-enylcyclooctyl)-1,4-diazocane is C=CCC1(N2CCCCNCC2)CCCCCCC1.
What is the InChIKey of 1-(1-prop-2-enylcyclooctyl)-1,4-diazocane?
The InChIKey is OLMNNALZMRIDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-2-10-17(11-6-4-3-5-7-12-17)19-15-9-8-13-18-14-16-19/h2,18H,1,3-16H2.
What are the key properties of 1-(1-prop-2-enylcyclooctyl)-1,4-diazocane?
1-(1-prop-2-enylcyclooctyl)-1,4-diazocane has a molecular weight of 264.46 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-2-enylcyclooctyl)-1,4-diazocane is sourced from PubChem (CID 175317080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).