4-(2-chloro-6-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane

C17H25ClN2 — CID 66252023

IUPAC4-(2-chloro-6-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCc1cccc(Cl)c1N1CC2(CCCCC2)NCC1C
InChIInChI=1S/C17H25ClN2/c1-13-7-6-8-15(18)16(13)20-12-17(19-11-14(20)2)9-4-3-5-10-17/h6-8,14,19H,3-5,9-12H2,1-2H3
InChIKeyNIBUNNWCPFSTCN-UHFFFAOYSA-N
MW292.85 g/mol
LogP4.15
Rot. Bonds1

About 4-(2-chloro-6-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane

4-(2-chloro-6-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane (PubChem CID 66252023) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 4-(2-chloro-6-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2-chloro-6-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
PubChem CID66252023
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name4-(2-chloro-6-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCc1cccc(Cl)c1N1CC2(CCCCC2)NCC1C
InChIInChI=1S/C17H25ClN2/c1-13-7-6-8-15(18)16(13)20-12-17(19-11-14(20)2)9-4-3-5-10-17/h6-8,14,19H,3-5,9-12H2,1-2H3
InChIKeyNIBUNNWCPFSTCN-UHFFFAOYSA-N
XLogP4.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(2-chloro-6-methylphenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 66254919
4-(2-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 103481704
4-(2,5-dichloro-4-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 104728489
9-(4-chlorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64933705
9-(2-chloro-6-methylphenyl)-6,9-diazaspiro[4.5]decane
CID 66257215
9-(2-chloro-4,6-difluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 83082636
4-(4-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 107617374
9-(4-bromo-2-chlorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64935889
3-methyl-4-[(2-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64877988
4-(4-chloro-2-iodophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 107640021
4-(3-ethylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64931877
9-(4-chloro-2-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64947975

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(2-chloro-6-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane (CID 66252023) is 4-(2-chloro-6-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(2-chloro-6-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(2-chloro-6-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane is Cc1cccc(Cl)c1N1CC2(CCCCC2)NCC1C.
What is the InChIKey of 4-(2-chloro-6-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is NIBUNNWCPFSTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-13-7-6-8-15(18)16(13)20-12-17(19-11-14(20)2)9-4-3-5-10-17/h6-8,14,19H,3-5,9-12H2,1-2H3.
What are the key properties of 4-(2-chloro-6-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
4-(2-chloro-6-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 292.85 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 66252023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).