9-(2-chloro-6-methylphenyl)-8-methyl-6,9-diazaspiro[4.5]decane

C16H23ClN2 — CID 66254919

IUPAC9-(2-chloro-6-methylphenyl)-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCc1cccc(Cl)c1N1CC2(CCCC2)NCC1C
InChIInChI=1S/C16H23ClN2/c1-12-6-5-7-14(17)15(12)19-11-16(8-3-4-9-16)18-10-13(19)2/h5-7,13,18H,3-4,8-11H2,1-2H3
InChIKeyKFZGHACHGQSBLA-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.76
Rot. Bonds1

About 9-(2-chloro-6-methylphenyl)-8-methyl-6,9-diazaspiro[4.5]decane

9-(2-chloro-6-methylphenyl)-8-methyl-6,9-diazaspiro[4.5]decane (PubChem CID 66254919) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 9-(2-chloro-6-methylphenyl)-8-methyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(2-chloro-6-methylphenyl)-8-methyl-6,9-diazaspiro[4.5]decane
PubChem CID66254919
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name9-(2-chloro-6-methylphenyl)-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCc1cccc(Cl)c1N1CC2(CCCC2)NCC1C
InChIInChI=1S/C16H23ClN2/c1-12-6-5-7-14(17)15(12)19-11-16(8-3-4-9-16)18-10-13(19)2/h5-7,13,18H,3-4,8-11H2,1-2H3
InChIKeyKFZGHACHGQSBLA-UHFFFAOYSA-N
XLogP3.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(2-chloro-6-methylphenyl)-8-methyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(2-chloro-6-methylphenyl)-8-methyl-6,9-diazaspiro[4.5]decane (CID 66254919) is 9-(2-chloro-6-methylphenyl)-8-methyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(2-chloro-6-methylphenyl)-8-methyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(2-chloro-6-methylphenyl)-8-methyl-6,9-diazaspiro[4.5]decane is Cc1cccc(Cl)c1N1CC2(CCCC2)NCC1C.
What is the InChIKey of 9-(2-chloro-6-methylphenyl)-8-methyl-6,9-diazaspiro[4.5]decane?
The InChIKey is KFZGHACHGQSBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-12-6-5-7-14(17)15(12)19-11-16(8-3-4-9-16)18-10-13(19)2/h5-7,13,18H,3-4,8-11H2,1-2H3.
What are the key properties of 9-(2-chloro-6-methylphenyl)-8-methyl-6,9-diazaspiro[4.5]decane?
9-(2-chloro-6-methylphenyl)-8-methyl-6,9-diazaspiro[4.5]decane has a molecular weight of 278.83 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-chloro-6-methylphenyl)-8-methyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 66254919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).