3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane

C16H30N2O — CID 102901669

IUPAC3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
SMILESCCC1CN(CC2CCC3(CCCC3)O2)CCCN1
InChIInChI=1S/C16H30N2O/c1-2-14-12-18(11-5-10-17-14)13-15-6-9-16(19-15)7-3-4-8-16/h14-15,17H,2-13H2,1H3
InChIKeyOGOHMMGLXCCAIY-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.55
Rot. Bonds3

About 3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane

3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane (PubChem CID 102901669) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane.

Molecular Properties

Compound Name3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
PubChem CID102901669
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
SMILESCCC1CN(CC2CCC3(CCCC3)O2)CCCN1
InChIInChI=1S/C16H30N2O/c1-2-14-12-18(11-5-10-17-14)13-15-6-9-16(19-15)7-3-4-8-16/h14-15,17H,2-13H2,1H3
InChIKeyOGOHMMGLXCCAIY-UHFFFAOYSA-N
XLogP2.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2,2-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901639
1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane
CID 64872296
3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
CID 102901662
1-(1,4-dioxan-2-ylmethyl)-3-ethyl-1,4-diazepane
CID 64944587
2,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901640
1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane
CID 64942557
(4aS,7aS)-6-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102899519
3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine
CID 102900770
3-methylsulfanyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)azepane
CID 86818442
1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol
CID 102848137
2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-yl]ethanamine
CID 102899408
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-propylpiperazine
CID 116524415

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane?
The IUPAC name of 3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane (CID 102901669) is 3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane.
What is the SMILES notation for 3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane?
The canonical SMILES for 3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane is CCC1CN(CC2CCC3(CCCC3)O2)CCCN1.
What is the InChIKey of 3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane?
The InChIKey is OGOHMMGLXCCAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-14-12-18(11-5-10-17-14)13-15-6-9-16(19-15)7-3-4-8-16/h14-15,17H,2-13H2,1H3.
What are the key properties of 3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane?
3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane has a molecular weight of 266.43 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane is sourced from PubChem (CID 102901669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).