2-methoxy-4-(9-methyl-1,9-diazaspiro[5.5]undecan-3-yl)aniline

C17H27N3O — CID 129094124

IUPAC2-methoxy-4-(9-methyl-1,9-diazaspiro[5.5]undecan-3-yl)aniline
SMILESCOc1cc(C2CCC3(CCN(C)CC3)NC2)ccc1N
InChIInChI=1S/C17H27N3O/c1-20-9-7-17(8-10-20)6-5-14(12-19-17)13-3-4-15(18)16(11-13)21-2/h3-4,11,14,19H,5-10,12,18H2,1-2H3
InChIKeyVTRMKQHCRJEHAS-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.21
Rot. Bonds2

About 2-methoxy-4-(9-methyl-1,9-diazaspiro[5.5]undecan-3-yl)aniline

2-methoxy-4-(9-methyl-1,9-diazaspiro[5.5]undecan-3-yl)aniline (PubChem CID 129094124) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-methoxy-4-(9-methyl-1,9-diazaspiro[5.5]undecan-3-yl)aniline.

Molecular Properties

Compound Name2-methoxy-4-(9-methyl-1,9-diazaspiro[5.5]undecan-3-yl)aniline
PubChem CID129094124
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-methoxy-4-(9-methyl-1,9-diazaspiro[5.5]undecan-3-yl)aniline
SMILESCOc1cc(C2CCC3(CCN(C)CC3)NC2)ccc1N
InChIInChI=1S/C17H27N3O/c1-20-9-7-17(8-10-20)6-5-14(12-19-17)13-3-4-15(18)16(11-13)21-2/h3-4,11,14,19H,5-10,12,18H2,1-2H3
InChIKeyVTRMKQHCRJEHAS-UHFFFAOYSA-N
XLogP2.21
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 117469507
4-[4-(dimethylamino)cyclohexyl]-2-methoxyaniline
CID 135211692
methanol;2-methoxy-4-[4-(4-methylpiperazin-1-yl)cyclohexyl]aniline;1-[4-(3-methoxy-4-nitrophenyl)cyclohexyl]-4-methylpiperazine
CID 167675929
1-[2-(4-amino-3-methoxyphenyl)piperidin-1-yl]ethanone
CID 59291060
4-(4-methoxy-3-methylphenyl)-1-methylpiperidine
CID 143502114
2-methoxy-4-[4-[4-(2-methylsulfonylethyl)piperazin-1-yl]cyclohexyl]aniline
CID 59452816
4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine
CID 156561113
2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline
CID 67208572
4-(4-amino-3-methoxyphenyl)-2-tert-butylpiperidine-1-carboxylic acid
CID 68668197
(1-methylpiperidin-4-yl) 4-amino-3-methoxybenzoate
CID 104783906
2-cyclopropyl-4-(1-methylpiperidin-4-yl)aniline
CID 168888643

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(9-methyl-1,9-diazaspiro[5.5]undecan-3-yl)aniline?
The IUPAC name of 2-methoxy-4-(9-methyl-1,9-diazaspiro[5.5]undecan-3-yl)aniline (CID 129094124) is 2-methoxy-4-(9-methyl-1,9-diazaspiro[5.5]undecan-3-yl)aniline.
What is the SMILES notation for 2-methoxy-4-(9-methyl-1,9-diazaspiro[5.5]undecan-3-yl)aniline?
The canonical SMILES for 2-methoxy-4-(9-methyl-1,9-diazaspiro[5.5]undecan-3-yl)aniline is COc1cc(C2CCC3(CCN(C)CC3)NC2)ccc1N.
What is the InChIKey of 2-methoxy-4-(9-methyl-1,9-diazaspiro[5.5]undecan-3-yl)aniline?
The InChIKey is VTRMKQHCRJEHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-20-9-7-17(8-10-20)6-5-14(12-19-17)13-3-4-15(18)16(11-13)21-2/h3-4,11,14,19H,5-10,12,18H2,1-2H3.
What are the key properties of 2-methoxy-4-(9-methyl-1,9-diazaspiro[5.5]undecan-3-yl)aniline?
2-methoxy-4-(9-methyl-1,9-diazaspiro[5.5]undecan-3-yl)aniline has a molecular weight of 289.42 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(9-methyl-1,9-diazaspiro[5.5]undecan-3-yl)aniline is sourced from PubChem (CID 129094124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).