2-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylethanamine

C11H21NO2 — CID 11287105

IUPAC2-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylethanamine
SMILESCNCCC1CCCC2(C1)OCCO2
InChIInChI=1S/C11H21NO2/c1-12-6-4-10-3-2-5-11(9-10)13-7-8-14-11/h10,12H,2-9H2,1H3
InChIKeyNDYTZIAXAWBCJK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.53
Rot. Bonds3

About 2-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylethanamine

2-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylethanamine (PubChem CID 11287105) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylethanamine
PubChem CID11287105
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylethanamine
SMILESCNCCC1CCCC2(C1)OCCO2
InChIInChI=1S/C11H21NO2/c1-12-6-4-10-3-2-5-11(9-10)13-7-8-14-11/h10,12H,2-9H2,1H3
InChIKeyNDYTZIAXAWBCJK-UHFFFAOYSA-N
XLogP1.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]-N-methylethane-1,2-diamine
CID 102852208
[1-(1,4-dioxaspiro[4.5]decan-7-ylmethyl)cyclopropyl]methanamine
CID 130067900
N-methyl-1,5-dioxaspiro[5.5]undecan-10-amine
CID 83852999
2-cyclohexyl-N-methylethanamine;ethane
CID 171834156
(8S)-8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane
CID 67237087
3-[3-fluoro-3-(trifluoromethyl)cyclohexyl]-N-methylpropan-1-amine
CID 84737013
(7R)-7-tert-butyl-1,4-dioxaspiro[4.5]decane
CID 93482217
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
CID 79924224
N-(cyclopentylmethyl)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 130709610
(7R)-7-[(4-bromophenyl)sulfanylmethyl]-1,4-dioxaspiro[4.5]decane
CID 91146571
3-cyclohexyl-N-methylpropan-1-amine
CID 3028091
3-cyclopentyl-N-methylpropan-1-amine;hydrochloride
CID 75530738

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylethanamine?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylethanamine (CID 11287105) is 2-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylethanamine?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylethanamine is CNCCC1CCCC2(C1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylethanamine?
The InChIKey is NDYTZIAXAWBCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-12-6-4-10-3-2-5-11(9-10)13-7-8-14-11/h10,12H,2-9H2,1H3.
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylethanamine?
2-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylethanamine has a molecular weight of 199.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylethanamine is sourced from PubChem (CID 11287105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).