6-butyl-2-oxa-6-azaspiro[3.3]heptane;methane

C10H21NO — CID 176923726

IUPAC6-butyl-2-oxa-6-azaspiro[3.3]heptane;methane
SMILESC.CCCCN1CC2(COC2)C1
InChIInChI=1S/C9H17NO.CH4/c1-2-3-4-10-5-9(6-10)7-11-8-9;/h2-8H2,1H3;1H4
InChIKeyLURREMRJQFLRLZ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.75
Rot. Bonds3

About 6-butyl-2-oxa-6-azaspiro[3.3]heptane;methane

6-butyl-2-oxa-6-azaspiro[3.3]heptane;methane (PubChem CID 176923726) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 6-butyl-2-oxa-6-azaspiro[3.3]heptane;methane.

Molecular Properties

Compound Name6-butyl-2-oxa-6-azaspiro[3.3]heptane;methane
PubChem CID176923726
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name6-butyl-2-oxa-6-azaspiro[3.3]heptane;methane
SMILESC.CCCCN1CC2(COC2)C1
InChIInChI=1S/C9H17NO.CH4/c1-2-3-4-10-5-9(6-10)7-11-8-9;/h2-8H2,1H3;1H4
InChIKeyLURREMRJQFLRLZ-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-2-azaspiro[3.3]heptane
CID 170365296
2-butyl-2,6-diazaspiro[3.3]heptane
CID 159477315
6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-6-azaspiro[3.3]heptane
CID 176757671
6-(10-methylsulfinyldecyl)-2-oxa-6-azaspiro[3.3]heptane
CID 164916202
ethane;2-propyl-6-oxa-2-azaspiro[3.4]octane
CID 171514883
6-tetradecan-7-yl-2-oxa-6-azaspiro[3.3]heptane
CID 166880914
5-butyl-5-azaspiro[2.5]octane
CID 130224729
6-undecan-5-yl-2-oxa-6-azaspiro[3.3]heptane
CID 166880859
butane;4-butylmorpholine
CID 177152600
1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane
CID 170584310
2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane
CID 156829992
1-butyl-3-methyl-1,3-diazetidine
CID 54539532

Frequently Asked Questions

What is the IUPAC name of 6-butyl-2-oxa-6-azaspiro[3.3]heptane;methane?
The IUPAC name of 6-butyl-2-oxa-6-azaspiro[3.3]heptane;methane (CID 176923726) is 6-butyl-2-oxa-6-azaspiro[3.3]heptane;methane.
What is the SMILES notation for 6-butyl-2-oxa-6-azaspiro[3.3]heptane;methane?
The canonical SMILES for 6-butyl-2-oxa-6-azaspiro[3.3]heptane;methane is C.CCCCN1CC2(COC2)C1.
What is the InChIKey of 6-butyl-2-oxa-6-azaspiro[3.3]heptane;methane?
The InChIKey is LURREMRJQFLRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.CH4/c1-2-3-4-10-5-9(6-10)7-11-8-9;/h2-8H2,1H3;1H4.
What are the key properties of 6-butyl-2-oxa-6-azaspiro[3.3]heptane;methane?
6-butyl-2-oxa-6-azaspiro[3.3]heptane;methane has a molecular weight of 171.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-oxa-6-azaspiro[3.3]heptane;methane is sourced from PubChem (CID 176923726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).