9-[(2,4-dichlorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane

C17H24Cl2N2 — CID 64876428

IUPAC9-[(2,4-dichlorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane
SMILESCC1(C)CNC2(CCCC2)CN1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H24Cl2N2/c1-16(2)11-20-17(7-3-4-8-17)12-21(16)10-13-5-6-14(18)9-15(13)19/h5-6,9,20H,3-4,7-8,10-12H2,1-2H3
InChIKeyHLUCBULDSSCVLH-UHFFFAOYSA-N
MW327.30 g/mol
LogP4.49
Rot. Bonds2

About 9-[(2,4-dichlorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane

9-[(2,4-dichlorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane (PubChem CID 64876428) has the molecular formula C17H24Cl2N2 and a molecular weight of 327.30 g/mol. Its IUPAC name is 9-[(2,4-dichlorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(2,4-dichlorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane
PubChem CID64876428
Molecular FormulaC17H24Cl2N2
Molecular Weight327.30 g/mol
Exact Mass326.13
IUPAC Name9-[(2,4-dichlorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane
SMILESCC1(C)CNC2(CCCC2)CN1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H24Cl2N2/c1-16(2)11-20-17(7-3-4-8-17)12-21(16)10-13-5-6-14(18)9-15(13)19/h5-6,9,20H,3-4,7-8,10-12H2,1-2H3
InChIKeyHLUCBULDSSCVLH-UHFFFAOYSA-N
XLogP4.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[(2,4-dichlorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(2,4-dichlorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane (CID 64876428) is 9-[(2,4-dichlorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(2,4-dichlorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(2,4-dichlorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane is CC1(C)CNC2(CCCC2)CN1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 9-[(2,4-dichlorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane?
The InChIKey is HLUCBULDSSCVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2/c1-16(2)11-20-17(7-3-4-8-17)12-21(16)10-13-5-6-14(18)9-15(13)19/h5-6,9,20H,3-4,7-8,10-12H2,1-2H3.
What are the key properties of 9-[(2,4-dichlorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane?
9-[(2,4-dichlorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane has a molecular weight of 327.30 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,4-dichlorophenyl)methyl]-8,8-dimethyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64876428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).