1-oxa-3,12-diazacycloheptadecane

C14H30N2O — CID 174945587

IUPAC1-oxa-3,12-diazacycloheptadecane
SMILESC1CCCCNCOCCCCCNCCC1
InChIInChI=1S/C14H30N2O/c1-2-4-7-12-16-14-17-13-9-5-8-11-15-10-6-3-1/h15-16H,1-14H2
InChIKeyKHGXZXNLUYZCTQ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.66
Rot. Bonds

About 1-oxa-3,12-diazacycloheptadecane

1-oxa-3,12-diazacycloheptadecane (PubChem CID 174945587) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-oxa-3,12-diazacycloheptadecane.

Molecular Properties

Compound Name1-oxa-3,12-diazacycloheptadecane
PubChem CID174945587
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-oxa-3,12-diazacycloheptadecane
SMILESC1CCCCNCOCCCCCNCCC1
InChIInChI=1S/C14H30N2O/c1-2-4-7-12-16-14-17-13-9-5-8-11-15-10-6-3-1/h15-16H,1-14H2
InChIKeyKHGXZXNLUYZCTQ-UHFFFAOYSA-N
XLogP2.66
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-3,12-diazacycloheptadecane?
The IUPAC name of 1-oxa-3,12-diazacycloheptadecane (CID 174945587) is 1-oxa-3,12-diazacycloheptadecane.
What is the SMILES notation for 1-oxa-3,12-diazacycloheptadecane?
The canonical SMILES for 1-oxa-3,12-diazacycloheptadecane is C1CCCCNCOCCCCCNCCC1.
What is the InChIKey of 1-oxa-3,12-diazacycloheptadecane?
The InChIKey is KHGXZXNLUYZCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-2-4-7-12-16-14-17-13-9-5-8-11-15-10-6-3-1/h15-16H,1-14H2.
What are the key properties of 1-oxa-3,12-diazacycloheptadecane?
1-oxa-3,12-diazacycloheptadecane has a molecular weight of 242.41 g/mol, XLogP of 2.66, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-3,12-diazacycloheptadecane is sourced from PubChem (CID 174945587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).