[2-(2-azaspiro[3.6]decan-2-yl)-3-methoxyphenyl]methanamine

C17H26N2O — CID 107467223

IUPAC[2-(2-azaspiro[3.6]decan-2-yl)-3-methoxyphenyl]methanamine
SMILESCOc1cccc(CN)c1N1CC2(CCCCCC2)C1
InChIInChI=1S/C17H26N2O/c1-20-15-8-6-7-14(11-18)16(15)19-12-17(13-19)9-4-2-3-5-10-17/h6-8H,2-5,9-13,18H2,1H3
InChIKeyPAEKKTXHVAAUKP-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.31
Rot. Bonds3

About [2-(2-azaspiro[3.6]decan-2-yl)-3-methoxyphenyl]methanamine

[2-(2-azaspiro[3.6]decan-2-yl)-3-methoxyphenyl]methanamine (PubChem CID 107467223) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [2-(2-azaspiro[3.6]decan-2-yl)-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(2-azaspiro[3.6]decan-2-yl)-3-methoxyphenyl]methanamine
PubChem CID107467223
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[2-(2-azaspiro[3.6]decan-2-yl)-3-methoxyphenyl]methanamine
SMILESCOc1cccc(CN)c1N1CC2(CCCCCC2)C1
InChIInChI=1S/C17H26N2O/c1-20-15-8-6-7-14(11-18)16(15)19-12-17(13-19)9-4-2-3-5-10-17/h6-8H,2-5,9-13,18H2,1H3
InChIKeyPAEKKTXHVAAUKP-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-ethylazetidin-1-yl)-3-methoxyphenyl]methanamine
CID 107467236
1-[2-(aminomethyl)-6-methoxyphenyl]pyrrolidine-2,5-dione
CID 107467220
[1-[(2-methoxyphenyl)methyl]cyclopentyl]methanamine
CID 62725891
[2-(2-azaspiro[3.3]heptan-2-yl)phenyl]methanamine
CID 79677460
1-[2-(aminomethyl)-6-methoxyphenyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 107467227
[2-(2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]methanamine
CID 79677418
[5-(2-azaspiro[3.6]decan-2-yl)-2-fluorophenyl]methanamine
CID 79687951
1-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 28759377
3-(2-azaspiro[3.5]nonan-2-ylmethyl)-4-methoxyaniline
CID 79689222
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
[3-(2-azaspiro[3.5]nonan-2-yl)-1-methylpyrazol-4-yl]methanamine
CID 113430336
[3-(2-azaspiro[3.6]decan-2-yl)-1-methylpyrazol-4-yl]methanamine
CID 104592966

Frequently Asked Questions

What is the IUPAC name of [2-(2-azaspiro[3.6]decan-2-yl)-3-methoxyphenyl]methanamine?
The IUPAC name of [2-(2-azaspiro[3.6]decan-2-yl)-3-methoxyphenyl]methanamine (CID 107467223) is [2-(2-azaspiro[3.6]decan-2-yl)-3-methoxyphenyl]methanamine.
What is the SMILES notation for [2-(2-azaspiro[3.6]decan-2-yl)-3-methoxyphenyl]methanamine?
The canonical SMILES for [2-(2-azaspiro[3.6]decan-2-yl)-3-methoxyphenyl]methanamine is COc1cccc(CN)c1N1CC2(CCCCCC2)C1.
What is the InChIKey of [2-(2-azaspiro[3.6]decan-2-yl)-3-methoxyphenyl]methanamine?
The InChIKey is PAEKKTXHVAAUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-20-15-8-6-7-14(11-18)16(15)19-12-17(13-19)9-4-2-3-5-10-17/h6-8H,2-5,9-13,18H2,1H3.
What are the key properties of [2-(2-azaspiro[3.6]decan-2-yl)-3-methoxyphenyl]methanamine?
[2-(2-azaspiro[3.6]decan-2-yl)-3-methoxyphenyl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-azaspiro[3.6]decan-2-yl)-3-methoxyphenyl]methanamine is sourced from PubChem (CID 107467223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).