N-methyl-1-(3-methylfuran-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine

C17H27NO2 — CID 104804989

IUPACN-methyl-1-(3-methylfuran-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
SMILESCNC(c1occc1C)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H27NO2/c1-13-6-10-19-16(13)15(18-2)14-7-11-20-17(12-14)8-4-3-5-9-17/h6,10,14-15,18H,3-5,7-9,11-12H2,1-2H3
InChIKeyXSBQUVXIBRUTQB-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.98
Rot. Bonds3

About N-methyl-1-(3-methylfuran-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine

N-methyl-1-(3-methylfuran-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine (PubChem CID 104804989) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-methyl-1-(3-methylfuran-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylfuran-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
PubChem CID104804989
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-methyl-1-(3-methylfuran-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
SMILESCNC(c1occc1C)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H27NO2/c1-13-6-10-19-16(13)15(18-2)14-7-11-20-17(12-14)8-4-3-5-9-17/h6,10,14-15,18H,3-5,7-9,11-12H2,1-2H3
InChIKeyXSBQUVXIBRUTQB-UHFFFAOYSA-N
XLogP3.98
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 104800788
1-(3,5-dimethylphenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016685
N-methyl-1-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016176
1-(2-chlorofuran-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 106692578
N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105169862
N-methyl-1-(2-methyl-4-pyridinyl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 106755656
N-methyl-1-(4-methyl-2-pyridinyl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914962
1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79908703
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104790003
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-pyridazin-4-ylmethanamine
CID 105169878
1-(2,6-difluorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79907559
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105169889

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylfuran-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methylfuran-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine (CID 104804989) is N-methyl-1-(3-methylfuran-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methylfuran-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methylfuran-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine is CNC(c1occc1C)C1CCOC2(CCCCC2)C1.
What is the InChIKey of N-methyl-1-(3-methylfuran-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The InChIKey is XSBQUVXIBRUTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13-6-10-19-16(13)15(18-2)14-7-11-20-17(12-14)8-4-3-5-9-17/h6,10,14-15,18H,3-5,7-9,11-12H2,1-2H3.
What are the key properties of N-methyl-1-(3-methylfuran-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
N-methyl-1-(3-methylfuran-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylfuran-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine is sourced from PubChem (CID 104804989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).