(5S,9S)-9-(methoxymethyl)-7-methyl-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane

C18H28N2O — CID 124822149

IUPAC(5S,9S)-9-(methoxymethyl)-7-methyl-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
SMILESCOC[C@@H]1CN(C)C[C@]12CCN(Cc1ccccc1C)C2
InChIInChI=1S/C18H28N2O/c1-15-6-4-5-7-16(15)10-20-9-8-18(14-20)13-19(2)11-17(18)12-21-3/h4-7,17H,8-14H2,1-3H3/t17-,18-/m0/s1
InChIKeyZWQIIRZOMQBFRO-ROUUACIJSA-N
MW288.44 g/mol
LogP2.40
Rot. Bonds4

About (5S,9S)-9-(methoxymethyl)-7-methyl-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane

(5S,9S)-9-(methoxymethyl)-7-methyl-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane (PubChem CID 124822149) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (5S,9S)-9-(methoxymethyl)-7-methyl-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name(5S,9S)-9-(methoxymethyl)-7-methyl-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
PubChem CID124822149
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(5S,9S)-9-(methoxymethyl)-7-methyl-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
SMILESCOC[C@@H]1CN(C)C[C@]12CCN(Cc1ccccc1C)C2
InChIInChI=1S/C18H28N2O/c1-15-6-4-5-7-16(15)10-20-9-8-18(14-20)13-19(2)11-17(18)12-21-3/h4-7,17H,8-14H2,1-3H3/t17-,18-/m0/s1
InChIKeyZWQIIRZOMQBFRO-ROUUACIJSA-N
XLogP2.40
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,9S)-9-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane
CID 124815773
(5S,9S)-9-(methoxymethyl)-7-methyl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonane
CID 124820197
(5S)-5-(methoxymethyl)-9-[(2-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 97475433
8-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155828711
4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 91910522
1-[(5R,9S)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-phenylethanone
CID 97484939
(5R,9R)-9-(cyclopropylmethoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155832501
1-[(4S)-4-(methoxymethyl)-8-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124802038
[(5S,9S)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-naphthalen-2-ylmethanone
CID 124821690
(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-7-[(3-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 97487027
4-(methoxymethyl)-2-methyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155865418
(4R,5S)-2-(cyclopropylmethyl)-4-(methoxymethyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 124793847

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-9-(methoxymethyl)-7-methyl-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane?
The IUPAC name of (5S,9S)-9-(methoxymethyl)-7-methyl-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane (CID 124822149) is (5S,9S)-9-(methoxymethyl)-7-methyl-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for (5S,9S)-9-(methoxymethyl)-7-methyl-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for (5S,9S)-9-(methoxymethyl)-7-methyl-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane is COC[C@@H]1CN(C)C[C@]12CCN(Cc1ccccc1C)C2.
What is the InChIKey of (5S,9S)-9-(methoxymethyl)-7-methyl-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is ZWQIIRZOMQBFRO-ROUUACIJSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-6-4-5-7-16(15)10-20-9-8-18(14-20)13-19(2)11-17(18)12-21-3/h4-7,17H,8-14H2,1-3H3/t17-,18-/m0/s1.
What are the key properties of (5S,9S)-9-(methoxymethyl)-7-methyl-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane?
(5S,9S)-9-(methoxymethyl)-7-methyl-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 288.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-9-(methoxymethyl)-7-methyl-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 124822149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).