2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)propan-1-amine

C12H23NO3 — CID 115919754

IUPAC2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)propan-1-amine
SMILESCC(C)CNCC1COC2(CCOCC2)O1
InChIInChI=1S/C12H23NO3/c1-10(2)7-13-8-11-9-15-12(16-11)3-5-14-6-4-12/h10-11,13H,3-9H2,1-2H3
InChIKeyFBIGTDFYTRWPAJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.15
Rot. Bonds4

About 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)propan-1-amine

2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)propan-1-amine (PubChem CID 115919754) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)propan-1-amine
PubChem CID115919754
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)propan-1-amine
SMILESCC(C)CNCC1COC2(CCOCC2)O1
InChIInChI=1S/C12H23NO3/c1-10(2)7-13-8-11-9-15-12(16-11)3-5-14-6-4-12/h10-11,13H,3-9H2,1-2H3
InChIKeyFBIGTDFYTRWPAJ-UHFFFAOYSA-N
XLogP1.15
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3,3-dimethyl-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]butan-2-amine
CID 97338709
1-cyclopentyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)ethanamine
CID 75517003
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methylpropyl)oxamide
CID 18583869
2,2,2-trifluoro-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethylsulfamoyl)ethanamine
CID 154755746
3-(chloromethyl)-1,4,8-trioxaspiro[4.5]decane
CID 82775173
(3R)-3-(chloromethyl)-1,4,8-trioxaspiro[4.5]decane
CID 129382017
N-(pyridin-2-ylmethyl)-1-[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methanamine
CID 97338222
(1S,2R,4S)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]bicyclo[2.2.1]heptan-2-amine
CID 98870500
2,2-diethyl-4-(3-methylbutyl)-1,3-dioxolane;2,2-dimethyl-4-(3-methylbutyl)-1,3-dioxolane;3-(3-methylbutyl)-1,4-dioxaspiro[4.5]decane;3-(3-methylbutyl)-1,4-dioxaspiro[4.4]nonane;3-(3-methylbutyl)-1,4,8-trioxaspiro[4.5]decane;7-(4-methylpentyl)-5,8-dioxaspiro[3.4]octane
CID 161078353
1-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)-3-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)guanidine;hydroiodide
CID 110052427
N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]-1,3-benzoxazol-2-amine
CID 97338006
3,5-dichloro-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]pyridin-2-amine
CID 124847947

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)propan-1-amine (CID 115919754) is 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)propan-1-amine is CC(C)CNCC1COC2(CCOCC2)O1.
What is the InChIKey of 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)propan-1-amine?
The InChIKey is FBIGTDFYTRWPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10(2)7-13-8-11-9-15-12(16-11)3-5-14-6-4-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)propan-1-amine?
2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)propan-1-amine has a molecular weight of 229.32 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 115919754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).