7,10-dioxadispiro[3.1.46.34]tridecan-2-ylmethanamine

C12H21NO2 — CID 130068106

IUPAC7,10-dioxadispiro[3.1.46.34]tridecan-2-ylmethanamine
SMILESNCC1CC2(CCCC3(C2)OCCO3)C1
InChIInChI=1S/C12H21NO2/c13-8-10-6-11(7-10)2-1-3-12(9-11)14-4-5-15-12/h10H,1-9,13H2
InChIKeyJCKYMQGIKKFAGA-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.66
Rot. Bonds1

About 7,10-dioxadispiro[3.1.46.34]tridecan-2-ylmethanamine

7,10-dioxadispiro[3.1.46.34]tridecan-2-ylmethanamine (PubChem CID 130068106) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 7,10-dioxadispiro[3.1.46.34]tridecan-2-ylmethanamine.

Molecular Properties

Compound Name7,10-dioxadispiro[3.1.46.34]tridecan-2-ylmethanamine
PubChem CID130068106
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name7,10-dioxadispiro[3.1.46.34]tridecan-2-ylmethanamine
SMILESNCC1CC2(CCCC3(C2)OCCO3)C1
InChIInChI=1S/C12H21NO2/c13-8-10-6-11(7-10)2-1-3-12(9-11)14-4-5-15-12/h10H,1-9,13H2
InChIKeyJCKYMQGIKKFAGA-UHFFFAOYSA-N
XLogP1.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3R,5R)-8,11-dioxadispiro[4.1.47.35]tetradecan-3-yl]-2-methylpentan-2-ol
CID 58661782
1,4-dioxadispiro[4.1.57.15]tridecane
CID 177024973
[1-(1,4-dioxaspiro[4.5]decan-7-ylmethyl)cyclopropyl]methanamine
CID 130067900
8,11-dioxadispiro[3.2.47.24]tridecane
CID 171769026
[(7R)-6-oxaspiro[3.4]octan-7-yl]methanamine
CID 125457158
5-[(3R,5R)-8,11-dioxadispiro[4.1.47.35]tetradecan-3-yl]-2-methylpentan-2-ol;(3R,5R)-3-(4-hydroxy-4-methylpentyl)spiro[4.5]decan-9-one
CID 159447764
5-[(3R,5S)-8,11-dioxadispiro[4.1.47.35]tetradecan-3-yl]-2-methylpentan-2-ol;(3R,5S)-3-(4-hydroxy-4-methylpentyl)spiro[4.5]decan-9-one
CID 159447763
6-oxaspiro[3.4]octan-7-ylmethanamine;hydrochloride
CID 126835221
[(7S)-spiro[2.5]octan-7-yl]methanol
CID 163342255
[(7R)-7-phenyl-1,4-dioxaspiro[4.5]decan-7-yl]methanamine
CID 129395694
bis(8,11-dioxa-3-azadispiro[4.1.47.35]tetradecane);oxalic acid
CID 127263574
[(5S,8R)-1-oxaspiro[4.4]nonan-8-yl]methanamine
CID 99996112

Frequently Asked Questions

What is the IUPAC name of 7,10-dioxadispiro[3.1.46.34]tridecan-2-ylmethanamine?
The IUPAC name of 7,10-dioxadispiro[3.1.46.34]tridecan-2-ylmethanamine (CID 130068106) is 7,10-dioxadispiro[3.1.46.34]tridecan-2-ylmethanamine.
What is the SMILES notation for 7,10-dioxadispiro[3.1.46.34]tridecan-2-ylmethanamine?
The canonical SMILES for 7,10-dioxadispiro[3.1.46.34]tridecan-2-ylmethanamine is NCC1CC2(CCCC3(C2)OCCO3)C1.
What is the InChIKey of 7,10-dioxadispiro[3.1.46.34]tridecan-2-ylmethanamine?
The InChIKey is JCKYMQGIKKFAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c13-8-10-6-11(7-10)2-1-3-12(9-11)14-4-5-15-12/h10H,1-9,13H2.
What are the key properties of 7,10-dioxadispiro[3.1.46.34]tridecan-2-ylmethanamine?
7,10-dioxadispiro[3.1.46.34]tridecan-2-ylmethanamine has a molecular weight of 211.30 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dioxadispiro[3.1.46.34]tridecan-2-ylmethanamine is sourced from PubChem (CID 130068106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).