2-[7-[2-(diethylamino)ethyl]-1,4,7-oxadiazonan-4-yl]-N,N-diethylethanamine

C18H40N4O — CID 13148195

IUPAC2-[7-[2-(diethylamino)ethyl]-1,4,7-oxadiazonan-4-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCN1CCOCCN(CCN(CC)CC)CC1
InChIInChI=1S/C18H40N4O/c1-5-19(6-2)9-11-21-13-14-22(16-18-23-17-15-21)12-10-20(7-3)8-4/h5-18H2,1-4H3
InChIKeyNATVFOMWUXZQFC-UHFFFAOYSA-N
MW328.55 g/mol
LogP1.30
Rot. Bonds10

About 2-[7-[2-(diethylamino)ethyl]-1,4,7-oxadiazonan-4-yl]-N,N-diethylethanamine

2-[7-[2-(diethylamino)ethyl]-1,4,7-oxadiazonan-4-yl]-N,N-diethylethanamine (PubChem CID 13148195) has the molecular formula C18H40N4O and a molecular weight of 328.55 g/mol. Its IUPAC name is 2-[7-[2-(diethylamino)ethyl]-1,4,7-oxadiazonan-4-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[7-[2-(diethylamino)ethyl]-1,4,7-oxadiazonan-4-yl]-N,N-diethylethanamine
PubChem CID13148195
Molecular FormulaC18H40N4O
Molecular Weight328.55 g/mol
Exact Mass328.32
IUPAC Name2-[7-[2-(diethylamino)ethyl]-1,4,7-oxadiazonan-4-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCN1CCOCCN(CCN(CC)CC)CC1
InChIInChI=1S/C18H40N4O/c1-5-19(6-2)9-11-21-13-14-22(16-18-23-17-15-21)12-10-20(7-3)8-4/h5-18H2,1-4H3
InChIKeyNATVFOMWUXZQFC-UHFFFAOYSA-N
XLogP1.30
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.55
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[2-(diethylamino)ethyl]-1,4,7-oxadiazonan-4-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[7-[2-(diethylamino)ethyl]-1,4,7-oxadiazonan-4-yl]-N,N-diethylethanamine (CID 13148195) is 2-[7-[2-(diethylamino)ethyl]-1,4,7-oxadiazonan-4-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[7-[2-(diethylamino)ethyl]-1,4,7-oxadiazonan-4-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[7-[2-(diethylamino)ethyl]-1,4,7-oxadiazonan-4-yl]-N,N-diethylethanamine is CCN(CC)CCN1CCOCCN(CCN(CC)CC)CC1.
What is the InChIKey of 2-[7-[2-(diethylamino)ethyl]-1,4,7-oxadiazonan-4-yl]-N,N-diethylethanamine?
The InChIKey is NATVFOMWUXZQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N4O/c1-5-19(6-2)9-11-21-13-14-22(16-18-23-17-15-21)12-10-20(7-3)8-4/h5-18H2,1-4H3.
What are the key properties of 2-[7-[2-(diethylamino)ethyl]-1,4,7-oxadiazonan-4-yl]-N,N-diethylethanamine?
2-[7-[2-(diethylamino)ethyl]-1,4,7-oxadiazonan-4-yl]-N,N-diethylethanamine has a molecular weight of 328.55 g/mol, XLogP of 1.30, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[2-(diethylamino)ethyl]-1,4,7-oxadiazonan-4-yl]-N,N-diethylethanamine is sourced from PubChem (CID 13148195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).