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

C9H18ClNO2 — CID 71756403

IUPAC1,9-dioxaspiro[5.5]undecan-4-amine;hydrochloride
SMILESCl.NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C9H17NO2.ClH/c10-8-1-4-12-9(7-8)2-5-11-6-3-9;/h8H,1-7,10H2;1H
InChIKeyGUWHZBMGPGBSKU-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.10
Rot. Bonds

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

1,9-dioxaspiro[5.5]undecan-4-amine;hydrochloride (PubChem CID 71756403) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 1,9-dioxaspiro[5.5]undecan-4-amine;hydrochloride.

Molecular Properties

Compound Name1,9-dioxaspiro[5.5]undecan-4-amine;hydrochloride
PubChem CID71756403
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name1,9-dioxaspiro[5.5]undecan-4-amine;hydrochloride
SMILESCl.NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C9H17NO2.ClH/c10-8-1-4-12-9(7-8)2-5-11-6-3-9;/h8H,1-7,10H2;1H
InChIKeyGUWHZBMGPGBSKU-UHFFFAOYSA-N
XLogP1.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.10
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-amine;hydrochloride?
The IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-amine;hydrochloride (CID 71756403) is 1,9-dioxaspiro[5.5]undecan-4-amine;hydrochloride.
What is the SMILES notation for 1,9-dioxaspiro[5.5]undecan-4-amine;hydrochloride?
The canonical SMILES for 1,9-dioxaspiro[5.5]undecan-4-amine;hydrochloride is Cl.NC1CCOC2(CCOCC2)C1.
What is the InChIKey of 1,9-dioxaspiro[5.5]undecan-4-amine;hydrochloride?
The InChIKey is GUWHZBMGPGBSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c10-8-1-4-12-9(7-8)2-5-11-6-3-9;/h8H,1-7,10H2;1H.
What are the key properties of 1,9-dioxaspiro[5.5]undecan-4-amine;hydrochloride?
1,9-dioxaspiro[5.5]undecan-4-amine;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.10, 0 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-amine;hydrochloride is sourced from PubChem (CID 71756403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).