9-(furan-3-ylmethyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane

C14H22N2O2 — CID 97372184

IUPAC9-(furan-3-ylmethyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCN1CCOCC12CCN(Cc1ccoc1)CC2
InChIInChI=1S/C14H22N2O2/c1-15-7-9-18-12-14(15)3-5-16(6-4-14)10-13-2-8-17-11-13/h2,8,11H,3-7,9-10,12H2,1H3
InChIKeyNTTNRFSHAVTYMJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.58
Rot. Bonds2

About 9-(furan-3-ylmethyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane

9-(furan-3-ylmethyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97372184) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 9-(furan-3-ylmethyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(furan-3-ylmethyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97372184
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name9-(furan-3-ylmethyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCN1CCOCC12CCN(Cc1ccoc1)CC2
InChIInChI=1S/C14H22N2O2/c1-15-7-9-18-12-14(15)3-5-16(6-4-14)10-13-2-8-17-11-13/h2,8,11H,3-7,9-10,12H2,1H3
InChIKeyNTTNRFSHAVTYMJ-UHFFFAOYSA-N
XLogP1.58
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(furan-3-ylmethyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(furan-3-ylmethyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97372184) is 9-(furan-3-ylmethyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(furan-3-ylmethyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(furan-3-ylmethyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane is CN1CCOCC12CCN(Cc1ccoc1)CC2.
What is the InChIKey of 9-(furan-3-ylmethyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is NTTNRFSHAVTYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-15-7-9-18-12-14(15)3-5-16(6-4-14)10-13-2-8-17-11-13/h2,8,11H,3-7,9-10,12H2,1H3.
What are the key properties of 9-(furan-3-ylmethyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane?
9-(furan-3-ylmethyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 250.34 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(furan-3-ylmethyl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97372184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).