1-[7-(furan-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]-N,N-dimethylmethanamine

C16H26N2O3 — CID 131660008

IUPAC1-[7-(furan-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCC2(COCCN(Cc3ccco3)C2)O1
InChIInChI=1S/C16H26N2O3/c1-17(2)10-15-5-6-16(21-15)12-18(7-9-19-13-16)11-14-4-3-8-20-14/h3-4,8,15H,5-7,9-13H2,1-2H3
InChIKeyGDBFNEDONSWOJO-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.59
Rot. Bonds4

About 1-[7-(furan-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]-N,N-dimethylmethanamine

1-[7-(furan-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]-N,N-dimethylmethanamine (PubChem CID 131660008) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[7-(furan-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[7-(furan-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]-N,N-dimethylmethanamine
PubChem CID131660008
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-[7-(furan-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCC2(COCCN(Cc3ccco3)C2)O1
InChIInChI=1S/C16H26N2O3/c1-17(2)10-15-5-6-16(21-15)12-18(7-9-19-13-16)11-14-4-3-8-20-14/h3-4,8,15H,5-7,9-13H2,1-2H3
InChIKeyGDBFNEDONSWOJO-UHFFFAOYSA-N
XLogP1.59
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-[(2R,5R)-7-[(5-methylfuran-2-yl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methanamine
CID 97375448
N,N-dimethyl-1-[7-(pyridin-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methanamine
CID 131644529
(2S,5S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-7-(furan-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecane
CID 97452295
N-(furan-2-ylmethyl)-N-methyl-1-[(2S,5S)-7-pyrimidin-2-yl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methanamine
CID 98823067
2-[[furan-2-ylmethyl(methyl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxamide
CID 131663642
1-[2-[[furan-2-ylmethyl(methyl)amino]methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]propan-1-one
CID 131642573
N-methyl-N-[[(2S,5S)-7-[(5-methylthiophen-2-yl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]propan-2-amine
CID 98814893
N-(furan-2-ylmethyl)-N-methyl-1-(7-methylsulfonyl-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl)methanamine;2,2,2-trifluoroacetic acid
CID 155848323
[(2R,5R)-2-[(dimethylamino)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]-(1-methylpyrrol-2-yl)methanone
CID 124818113
1-[(2R,5S)-2-[(dimethylamino)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]-2-thiophen-2-ylethanone
CID 97385846
N-methyl-N-[[(2R,5R)-7-(1,3-thiazol-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]propan-2-amine
CID 124520064
[(2R,5R)-2-[(dimethylamino)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]-pyridazin-4-ylmethanone
CID 97451964

Frequently Asked Questions

What is the IUPAC name of 1-[7-(furan-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[7-(furan-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]-N,N-dimethylmethanamine (CID 131660008) is 1-[7-(furan-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[7-(furan-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[7-(furan-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]-N,N-dimethylmethanamine is CN(C)CC1CCC2(COCCN(Cc3ccco3)C2)O1.
What is the InChIKey of 1-[7-(furan-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]-N,N-dimethylmethanamine?
The InChIKey is GDBFNEDONSWOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-17(2)10-15-5-6-16(21-15)12-18(7-9-19-13-16)11-14-4-3-8-20-14/h3-4,8,15H,5-7,9-13H2,1-2H3.
What are the key properties of 1-[7-(furan-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]-N,N-dimethylmethanamine?
1-[7-(furan-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]-N,N-dimethylmethanamine has a molecular weight of 294.39 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(furan-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 131660008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).