2,9-dioxaspiro[5.5]undecan-5-ylmethanamine

C10H19NO2 — CID 82406105

IUPAC2,9-dioxaspiro[5.5]undecan-5-ylmethanamine
SMILESNCC1CCOCC12CCOCC2
InChIInChI=1S/C10H19NO2/c11-7-9-1-4-13-8-10(9)2-5-12-6-3-10/h9H,1-8,11H2
InChIKeyMZKYXJNJWUIKAT-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.78
Rot. Bonds1

About 2,9-dioxaspiro[5.5]undecan-5-ylmethanamine

2,9-dioxaspiro[5.5]undecan-5-ylmethanamine (PubChem CID 82406105) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2,9-dioxaspiro[5.5]undecan-5-ylmethanamine.

Molecular Properties

Compound Name2,9-dioxaspiro[5.5]undecan-5-ylmethanamine
PubChem CID82406105
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2,9-dioxaspiro[5.5]undecan-5-ylmethanamine
SMILESNCC1CCOCC12CCOCC2
InChIInChI=1S/C10H19NO2/c11-7-9-1-4-13-8-10(9)2-5-12-6-3-10/h9H,1-8,11H2
InChIKeyMZKYXJNJWUIKAT-UHFFFAOYSA-N
XLogP0.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,9-dioxaspiro[5.5]undecan-5-yl)ethanamine
CID 83908267
[(3S)-7-oxaspiro[3.5]nonan-3-yl]methanamine
CID 125041554
[(2R,3S)-5-oxaspiro[2.4]heptan-2-yl]methanamine
CID 124508591
9-oxa-2-thiaspiro[4.5]decan-6-ylmethanamine
CID 82405263
3-oxaspiro[5.5]undecan-11-ylmethanamine
CID 83906798
1,8-dioxaspiro[4.5]decan-4-ylmethanamine;hydrochloride
CID 146108126
(2R,3R)-2-(bromomethyl)-5-oxaspiro[2.4]heptane
CID 129372240
3-oxaspiro[5.5]undecan-11-amine
CID 83905754
spiro[3.3]heptan-3-ylmethanamine;hydrochloride
CID 139026678
2-(7-oxaspiro[2.6]nonan-2-yl)ethanamine
CID 83827138
2-oxa-9-azaspiro[4.5]decan-6-ol
CID 82415907
6-propyl-2-oxa-8-azaspiro[4.5]decane
CID 79321500

Frequently Asked Questions

What is the IUPAC name of 2,9-dioxaspiro[5.5]undecan-5-ylmethanamine?
The IUPAC name of 2,9-dioxaspiro[5.5]undecan-5-ylmethanamine (CID 82406105) is 2,9-dioxaspiro[5.5]undecan-5-ylmethanamine.
What is the SMILES notation for 2,9-dioxaspiro[5.5]undecan-5-ylmethanamine?
The canonical SMILES for 2,9-dioxaspiro[5.5]undecan-5-ylmethanamine is NCC1CCOCC12CCOCC2.
What is the InChIKey of 2,9-dioxaspiro[5.5]undecan-5-ylmethanamine?
The InChIKey is MZKYXJNJWUIKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c11-7-9-1-4-13-8-10(9)2-5-12-6-3-10/h9H,1-8,11H2.
What are the key properties of 2,9-dioxaspiro[5.5]undecan-5-ylmethanamine?
2,9-dioxaspiro[5.5]undecan-5-ylmethanamine has a molecular weight of 185.27 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dioxaspiro[5.5]undecan-5-ylmethanamine is sourced from PubChem (CID 82406105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).