8-(cyclohexylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C17H30N2O — CID 134790149

IUPAC8-(cyclohexylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC(C)C1=NOC2(CCN(CC3CCCCC3)CC2)C1
InChIInChI=1S/C17H30N2O/c1-14(2)16-12-17(20-18-16)8-10-19(11-9-17)13-15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3
InChIKeyAWXYAYVFHZCESG-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.83
Rot. Bonds3

About 8-(cyclohexylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

8-(cyclohexylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 134790149) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 8-(cyclohexylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8-(cyclohexylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID134790149
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name8-(cyclohexylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC(C)C1=NOC2(CCN(CC3CCCCC3)CC2)C1
InChIInChI=1S/C17H30N2O/c1-14(2)16-12-17(20-18-16)8-10-19(11-9-17)13-15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3
InChIKeyAWXYAYVFHZCESG-UHFFFAOYSA-N
XLogP3.83
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 8-(cyclohexylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 134790149) is 8-(cyclohexylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8-(cyclohexylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 8-(cyclohexylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is CC(C)C1=NOC2(CCN(CC3CCCCC3)CC2)C1.
What is the InChIKey of 8-(cyclohexylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is AWXYAYVFHZCESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-14(2)16-12-17(20-18-16)8-10-19(11-9-17)13-15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 8-(cyclohexylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
8-(cyclohexylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 278.44 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylmethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 134790149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).