4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methoxyaniline

C17H26N2O — CID 107208413

IUPAC4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methoxyaniline
SMILESCOc1cc(N)ccc1CN1CCC2(CCCC2)CC1
InChIInChI=1S/C17H26N2O/c1-20-16-12-15(18)5-4-14(16)13-19-10-8-17(9-11-19)6-2-3-7-17/h4-5,12H,2-3,6-11,13,18H2,1H3
InChIKeyNDHUAPCXTLHVJA-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.43
Rot. Bonds3

About 4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methoxyaniline

4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methoxyaniline (PubChem CID 107208413) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methoxyaniline.

Molecular Properties

Compound Name4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methoxyaniline
PubChem CID107208413
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methoxyaniline
SMILESCOc1cc(N)ccc1CN1CCC2(CCCC2)CC1
InChIInChI=1S/C17H26N2O/c1-20-16-12-15(18)5-4-14(16)13-19-10-8-17(9-11-19)6-2-3-7-17/h4-5,12H,2-3,6-11,13,18H2,1H3
InChIKeyNDHUAPCXTLHVJA-UHFFFAOYSA-N
XLogP3.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]aniline
CID 107208226
3-(2-azaspiro[3.5]nonan-2-ylmethyl)-4-methoxyaniline
CID 79689222
4-[(3-ethylpiperidin-1-yl)methyl]-3-methoxyaniline
CID 107208239
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methoxyaniline
CID 43581167
[2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine
CID 64769291
1-[(4-amino-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 107208478
3-(3-azaspiro[5.5]undecan-3-ylmethyl)-5-methoxyaniline
CID 81144753
3-methoxy-4-[[(1-methylcyclobutyl)amino]methyl]aniline
CID 107208544
3-methoxy-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]aniline
CID 107208200
3-methoxy-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]aniline
CID 107208482
3-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]aniline
CID 107208575
(5-amino-2-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63156948

Frequently Asked Questions

What is the IUPAC name of 4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methoxyaniline?
The IUPAC name of 4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methoxyaniline (CID 107208413) is 4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methoxyaniline.
What is the SMILES notation for 4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methoxyaniline?
The canonical SMILES for 4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methoxyaniline is COc1cc(N)ccc1CN1CCC2(CCCC2)CC1.
What is the InChIKey of 4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methoxyaniline?
The InChIKey is NDHUAPCXTLHVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-20-16-12-15(18)5-4-14(16)13-19-10-8-17(9-11-19)6-2-3-7-17/h4-5,12H,2-3,6-11,13,18H2,1H3.
What are the key properties of 4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methoxyaniline?
4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methoxyaniline has a molecular weight of 274.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-methoxyaniline is sourced from PubChem (CID 107208413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).