N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride

C17H26ClNO2 — CID 68976332

IUPACN,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride
SMILESCc1cccc(C2(N(C)C)CCC3(CC2)OCCO3)c1.Cl
InChIInChI=1S/C17H25NO2.ClH/c1-14-5-4-6-15(13-14)16(18(2)3)7-9-17(10-8-16)19-11-12-20-17;/h4-6,13H,7-12H2,1-3H3;1H
InChIKeyUZBZVDYIQRWMHN-UHFFFAOYSA-N
MW311.85 g/mol
LogP3.49
Rot. Bonds2

About N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride

N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride (PubChem CID 68976332) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride
PubChem CID68976332
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC NameN,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride
SMILESCc1cccc(C2(N(C)C)CCC3(CC2)OCCO3)c1.Cl
InChIInChI=1S/C17H25NO2.ClH/c1-14-5-4-6-15(13-14)16(18(2)3)7-9-17(10-8-16)19-11-12-20-17;/h4-6,13H,7-12H2,1-3H3;1H
InChIKeyUZBZVDYIQRWMHN-UHFFFAOYSA-N
XLogP3.49
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride (CID 68976332) is N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride is Cc1cccc(C2(N(C)C)CCC3(CC2)OCCO3)c1.Cl.
What is the InChIKey of N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride?
The InChIKey is UZBZVDYIQRWMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2.ClH/c1-14-5-4-6-15(13-14)16(18(2)3)7-9-17(10-8-16)19-11-12-20-17;/h4-6,13H,7-12H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride?
N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride has a molecular weight of 311.85 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride is sourced from PubChem (CID 68976332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).