9-[(2-methoxy-5-methylphenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane

C18H28N2O — CID 64877546

IUPAC9-[(2-methoxy-5-methylphenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCOc1ccc(C)cc1CN1CC2(CCCC2)NCC1C
InChIInChI=1S/C18H28N2O/c1-14-6-7-17(21-3)16(10-14)12-20-13-18(8-4-5-9-18)19-11-15(20)2/h6-7,10,15,19H,4-5,8-9,11-13H2,1-3H3
InChIKeySSONRBQCCQVNCV-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.11
Rot. Bonds3

About 9-[(2-methoxy-5-methylphenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane

9-[(2-methoxy-5-methylphenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane (PubChem CID 64877546) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 9-[(2-methoxy-5-methylphenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(2-methoxy-5-methylphenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
PubChem CID64877546
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name9-[(2-methoxy-5-methylphenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCOc1ccc(C)cc1CN1CC2(CCCC2)NCC1C
InChIInChI=1S/C18H28N2O/c1-14-6-7-17(21-3)16(10-14)12-20-13-18(8-4-5-9-18)19-11-15(20)2/h6-7,10,15,19H,4-5,8-9,11-13H2,1-3H3
InChIKeySSONRBQCCQVNCV-UHFFFAOYSA-N
XLogP3.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(2-methoxy-5-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64833057
3-methyl-4-[(2-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64877988
1-[(2-methoxy-5-methylphenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64840083
4-[(2,3-difluorophenyl)methyl]-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64876835
9-[(4,5-dimethylthiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 65245286
5-[(2-methoxy-5-methylphenyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209809
2-[(2-methoxy-5-methylphenyl)methyl]-2-methylazepane
CID 79117786
2-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-methylpiperazine
CID 64846488
8-methyl-9-(thiophen-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64876781
8-methyl-9-[(1-methylpyrazol-3-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 82871467
9-ethyl-8-methyl-6,9-diazaspiro[4.5]decane
CID 64877161
10-methyl-11-[(3-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 64870965

Frequently Asked Questions

What is the IUPAC name of 9-[(2-methoxy-5-methylphenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(2-methoxy-5-methylphenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane (CID 64877546) is 9-[(2-methoxy-5-methylphenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(2-methoxy-5-methylphenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(2-methoxy-5-methylphenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane is COc1ccc(C)cc1CN1CC2(CCCC2)NCC1C.
What is the InChIKey of 9-[(2-methoxy-5-methylphenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The InChIKey is SSONRBQCCQVNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-6-7-17(21-3)16(10-14)12-20-13-18(8-4-5-9-18)19-11-15(20)2/h6-7,10,15,19H,4-5,8-9,11-13H2,1-3H3.
What are the key properties of 9-[(2-methoxy-5-methylphenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
9-[(2-methoxy-5-methylphenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane has a molecular weight of 288.44 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-methoxy-5-methylphenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64877546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).