4-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-2-propan-2-yloxyaniline

C17H27N3O — CID 86698013

IUPAC4-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N2CCC3(CCCN3C)C2)ccc1N
InChIInChI=1S/C17H27N3O/c1-13(2)21-16-11-14(5-6-15(16)18)20-10-8-17(12-20)7-4-9-19(17)3/h5-6,11,13H,4,7-10,12,18H2,1-3H3
InChIKeyOBCJKVYAJSWYKI-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.73
Rot. Bonds3

About 4-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-2-propan-2-yloxyaniline

4-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-2-propan-2-yloxyaniline (PubChem CID 86698013) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-2-propan-2-yloxyaniline
PubChem CID86698013
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N2CCC3(CCCN3C)C2)ccc1N
InChIInChI=1S/C17H27N3O/c1-13(2)21-16-11-14(5-6-15(16)18)20-10-8-17(12-20)7-4-9-19(17)3/h5-6,11,13H,4,7-10,12,18H2,1-3H3
InChIKeyOBCJKVYAJSWYKI-UHFFFAOYSA-N
XLogP2.73
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-2-propan-2-yloxyaniline?
The IUPAC name of 4-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-2-propan-2-yloxyaniline (CID 86698013) is 4-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-2-propan-2-yloxyaniline?
The canonical SMILES for 4-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-2-propan-2-yloxyaniline is CC(C)Oc1cc(N2CCC3(CCCN3C)C2)ccc1N.
What is the InChIKey of 4-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-2-propan-2-yloxyaniline?
The InChIKey is OBCJKVYAJSWYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)21-16-11-14(5-6-15(16)18)20-10-8-17(12-20)7-4-9-19(17)3/h5-6,11,13H,4,7-10,12,18H2,1-3H3.
What are the key properties of 4-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-2-propan-2-yloxyaniline?
4-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-2-propan-2-yloxyaniline has a molecular weight of 289.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-2-propan-2-yloxyaniline is sourced from PubChem (CID 86698013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).