2,8-dimethyl-3-(2-propylpentyl)-1-oxa-3,8-diazaspiro[4.5]decane

C17H34N2O — CID 90737757

IUPAC2,8-dimethyl-3-(2-propylpentyl)-1-oxa-3,8-diazaspiro[4.5]decane
SMILESCCCC(CCC)CN1CC2(CCN(C)CC2)OC1C
InChIInChI=1S/C17H34N2O/c1-5-7-16(8-6-2)13-19-14-17(20-15(19)3)9-11-18(4)12-10-17/h15-16H,5-14H2,1-4H3
InChIKeyGEQJICMGSQTWMO-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.35
Rot. Bonds6

About 2,8-dimethyl-3-(2-propylpentyl)-1-oxa-3,8-diazaspiro[4.5]decane

2,8-dimethyl-3-(2-propylpentyl)-1-oxa-3,8-diazaspiro[4.5]decane (PubChem CID 90737757) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2,8-dimethyl-3-(2-propylpentyl)-1-oxa-3,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2,8-dimethyl-3-(2-propylpentyl)-1-oxa-3,8-diazaspiro[4.5]decane
PubChem CID90737757
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2,8-dimethyl-3-(2-propylpentyl)-1-oxa-3,8-diazaspiro[4.5]decane
SMILESCCCC(CCC)CN1CC2(CCN(C)CC2)OC1C
InChIInChI=1S/C17H34N2O/c1-5-7-16(8-6-2)13-19-14-17(20-15(19)3)9-11-18(4)12-10-17/h15-16H,5-14H2,1-4H3
InChIKeyGEQJICMGSQTWMO-UHFFFAOYSA-N
XLogP3.35
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-3-(2-propylpentyl)-1-oxa-3,8-diazaspiro[4.5]decane?
The IUPAC name of 2,8-dimethyl-3-(2-propylpentyl)-1-oxa-3,8-diazaspiro[4.5]decane (CID 90737757) is 2,8-dimethyl-3-(2-propylpentyl)-1-oxa-3,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2,8-dimethyl-3-(2-propylpentyl)-1-oxa-3,8-diazaspiro[4.5]decane?
The canonical SMILES for 2,8-dimethyl-3-(2-propylpentyl)-1-oxa-3,8-diazaspiro[4.5]decane is CCCC(CCC)CN1CC2(CCN(C)CC2)OC1C.
What is the InChIKey of 2,8-dimethyl-3-(2-propylpentyl)-1-oxa-3,8-diazaspiro[4.5]decane?
The InChIKey is GEQJICMGSQTWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-7-16(8-6-2)13-19-14-17(20-15(19)3)9-11-18(4)12-10-17/h15-16H,5-14H2,1-4H3.
What are the key properties of 2,8-dimethyl-3-(2-propylpentyl)-1-oxa-3,8-diazaspiro[4.5]decane?
2,8-dimethyl-3-(2-propylpentyl)-1-oxa-3,8-diazaspiro[4.5]decane has a molecular weight of 282.47 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-3-(2-propylpentyl)-1-oxa-3,8-diazaspiro[4.5]decane is sourced from PubChem (CID 90737757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).