1,9-dioxaspiro[5.5]undecan-4-ylmethanamine;hydrochloride

C10H20ClNO2 — CID 134690888

IUPAC1,9-dioxaspiro[5.5]undecan-4-ylmethanamine;hydrochloride
SMILESCl.NCC1CCOC2(CCOCC2)C1
InChIInChI=1S/C10H19NO2.ClH/c11-8-9-1-4-13-10(7-9)2-5-12-6-3-10;/h9H,1-8,11H2;1H
InChIKeyHHWNWKKWGDTKRI-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.34
Rot. Bonds1

About 1,9-dioxaspiro[5.5]undecan-4-ylmethanamine;hydrochloride

1,9-dioxaspiro[5.5]undecan-4-ylmethanamine;hydrochloride (PubChem CID 134690888) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 1,9-dioxaspiro[5.5]undecan-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name1,9-dioxaspiro[5.5]undecan-4-ylmethanamine;hydrochloride
PubChem CID134690888
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name1,9-dioxaspiro[5.5]undecan-4-ylmethanamine;hydrochloride
SMILESCl.NCC1CCOC2(CCOCC2)C1
InChIInChI=1S/C10H19NO2.ClH/c11-8-9-1-4-13-10(7-9)2-5-12-6-3-10;/h9H,1-8,11H2;1H
InChIKeyHHWNWKKWGDTKRI-UHFFFAOYSA-N
XLogP1.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-ylmethanamine;hydrochloride?
The IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-ylmethanamine;hydrochloride (CID 134690888) is 1,9-dioxaspiro[5.5]undecan-4-ylmethanamine;hydrochloride.
What is the SMILES notation for 1,9-dioxaspiro[5.5]undecan-4-ylmethanamine;hydrochloride?
The canonical SMILES for 1,9-dioxaspiro[5.5]undecan-4-ylmethanamine;hydrochloride is Cl.NCC1CCOC2(CCOCC2)C1.
What is the InChIKey of 1,9-dioxaspiro[5.5]undecan-4-ylmethanamine;hydrochloride?
The InChIKey is HHWNWKKWGDTKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c11-8-9-1-4-13-10(7-9)2-5-12-6-3-10;/h9H,1-8,11H2;1H.
What are the key properties of 1,9-dioxaspiro[5.5]undecan-4-ylmethanamine;hydrochloride?
1,9-dioxaspiro[5.5]undecan-4-ylmethanamine;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dioxaspiro[5.5]undecan-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 134690888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).