1,8-dioxaspiro[4.5]decan-4-ylmethanamine;hydrochloride

C9H18ClNO2 — CID 146108126

IUPAC1,8-dioxaspiro[4.5]decan-4-ylmethanamine;hydrochloride
SMILESCl.NCC1CCOC12CCOCC2
InChIInChI=1S/C9H17NO2.ClH/c10-7-8-1-4-12-9(8)2-5-11-6-3-9;/h8H,1-7,10H2;1H
InChIKeyZMZVIVWWERFMMC-UHFFFAOYSA-N
MW207.70 g/mol
LogP0.95
Rot. Bonds1

About 1,8-dioxaspiro[4.5]decan-4-ylmethanamine;hydrochloride

1,8-dioxaspiro[4.5]decan-4-ylmethanamine;hydrochloride (PubChem CID 146108126) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 1,8-dioxaspiro[4.5]decan-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name1,8-dioxaspiro[4.5]decan-4-ylmethanamine;hydrochloride
PubChem CID146108126
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name1,8-dioxaspiro[4.5]decan-4-ylmethanamine;hydrochloride
SMILESCl.NCC1CCOC12CCOCC2
InChIInChI=1S/C9H17NO2.ClH/c10-7-8-1-4-12-9(8)2-5-11-6-3-9;/h8H,1-7,10H2;1H
InChIKeyZMZVIVWWERFMMC-UHFFFAOYSA-N
XLogP0.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-7-oxaspiro[3.5]nonan-3-yl]methanamine
CID 125041554
2,9-dioxaspiro[5.5]undecan-5-ylmethanamine
CID 82406105
3-oxaspiro[5.5]undecan-11-ylmethanamine
CID 83906798
[(2R,3S)-5-oxaspiro[2.4]heptan-2-yl]methanamine
CID 124508591
(2-cyclohexyl-2-methyloxolan-3-yl)methanamine
CID 105451085
2-(2,9-dioxaspiro[5.5]undecan-5-yl)ethanamine
CID 83908267
(4-chlorooxan-4-yl)methanamine;hydrochloride
CID 146050323
4-[2-(oxan-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane
CID 131663423
9-oxa-2-thiaspiro[4.5]decan-6-ylmethanamine
CID 82405263
(8R)-2-(oxan-4-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124789276
(4-methyl-6-oxaspiro[2.5]octan-2-yl)methanamine
CID 130491521
[2-methyl-2-(4-methylphenyl)oxolan-3-yl]methanamine
CID 105458004

Frequently Asked Questions

What is the IUPAC name of 1,8-dioxaspiro[4.5]decan-4-ylmethanamine;hydrochloride?
The IUPAC name of 1,8-dioxaspiro[4.5]decan-4-ylmethanamine;hydrochloride (CID 146108126) is 1,8-dioxaspiro[4.5]decan-4-ylmethanamine;hydrochloride.
What is the SMILES notation for 1,8-dioxaspiro[4.5]decan-4-ylmethanamine;hydrochloride?
The canonical SMILES for 1,8-dioxaspiro[4.5]decan-4-ylmethanamine;hydrochloride is Cl.NCC1CCOC12CCOCC2.
What is the InChIKey of 1,8-dioxaspiro[4.5]decan-4-ylmethanamine;hydrochloride?
The InChIKey is ZMZVIVWWERFMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c10-7-8-1-4-12-9(8)2-5-11-6-3-9;/h8H,1-7,10H2;1H.
What are the key properties of 1,8-dioxaspiro[4.5]decan-4-ylmethanamine;hydrochloride?
1,8-dioxaspiro[4.5]decan-4-ylmethanamine;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dioxaspiro[4.5]decan-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 146108126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).