(3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)methanamine;hydrochloride

C12H24ClNO2 — CID 23147932

IUPAC(3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)methanamine;hydrochloride
SMILESCC1(C)COC2(CCC(CN)CC2)OC1.Cl
InChIInChI=1S/C12H23NO2.ClH/c1-11(2)8-14-12(15-9-11)5-3-10(7-13)4-6-12;/h10H,3-9,13H2,1-2H3;1H
InChIKeyZGGAQVUFYFHJMH-UHFFFAOYSA-N
MW249.78 g/mol
LogP2.33
Rot. Bonds1

About (3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)methanamine;hydrochloride

(3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)methanamine;hydrochloride (PubChem CID 23147932) has the molecular formula C12H24ClNO2 and a molecular weight of 249.78 g/mol. Its IUPAC name is (3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)methanamine;hydrochloride
PubChem CID23147932
Molecular FormulaC12H24ClNO2
Molecular Weight249.78 g/mol
Exact Mass249.15
IUPAC Name(3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)methanamine;hydrochloride
SMILESCC1(C)COC2(CCC(CN)CC2)OC1.Cl
InChIInChI=1S/C12H23NO2.ClH/c1-11(2)8-14-12(15-9-11)5-3-10(7-13)4-6-12;/h10H,3-9,13H2,1-2H3;1H
InChIKeyZGGAQVUFYFHJMH-UHFFFAOYSA-N
XLogP2.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)methanamine;hydrochloride?
The IUPAC name of (3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)methanamine;hydrochloride (CID 23147932) is (3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)methanamine;hydrochloride.
What is the SMILES notation for (3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)methanamine;hydrochloride?
The canonical SMILES for (3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)methanamine;hydrochloride is CC1(C)COC2(CCC(CN)CC2)OC1.Cl.
What is the InChIKey of (3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)methanamine;hydrochloride?
The InChIKey is ZGGAQVUFYFHJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2.ClH/c1-11(2)8-14-12(15-9-11)5-3-10(7-13)4-6-12;/h10H,3-9,13H2,1-2H3;1H.
What are the key properties of (3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)methanamine;hydrochloride?
(3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)methanamine;hydrochloride has a molecular weight of 249.78 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)methanamine;hydrochloride is sourced from PubChem (CID 23147932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).