(2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine

C15H23NO2 — CID 104789677

IUPAC(2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESCc1occc1C(N)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H23NO2/c1-11-13(5-8-17-11)14(16)12-4-9-18-15(10-12)6-2-3-7-15/h5,8,12,14H,2-4,6-7,9-10,16H2,1H3
InChIKeyQLVZWRHSXUJOEG-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.33
Rot. Bonds2

About (2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine

(2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine (PubChem CID 104789677) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
PubChem CID104789677
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESCc1occc1C(N)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H23NO2/c1-11-13(5-8-17-11)14(16)12-4-9-18-15(10-12)6-2-3-7-15/h5,8,12,14H,2-4,6-7,9-10,16H2,1H3
InChIKeyQLVZWRHSXUJOEG-UHFFFAOYSA-N
XLogP3.33
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 113453307
(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915466
(2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016729
(2-bromophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79915288
(2-bromo-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016287
(2,4-difluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016664
(2-fluoro-4-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010181
(1,5-dimethylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105170198
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104790003
(6-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79915425
(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 104804592
(2,4-difluoro-5-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010015

Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of (2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine (CID 104789677) is (2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for (2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for (2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine is Cc1occc1C(N)C1CCOC2(CCCC2)C1.
What is the InChIKey of (2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is QLVZWRHSXUJOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-13(5-8-17-11)14(16)12-4-9-18-15(10-12)6-2-3-7-15/h5,8,12,14H,2-4,6-7,9-10,16H2,1H3.
What are the key properties of (2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
(2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 249.35 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 104789677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).