4-(8-azaspiro[4.5]decan-8-yl)-3-methylaniline

C16H24N2 — CID 63160515

IUPAC4-(8-azaspiro[4.5]decan-8-yl)-3-methylaniline
SMILESCc1cc(N)ccc1N1CCC2(CCCC2)CC1
InChIInChI=1S/C16H24N2/c1-13-12-14(17)4-5-15(13)18-10-8-16(9-11-18)6-2-3-7-16/h4-5,12H,2-3,6-11,17H2,1H3
InChIKeyCLWIAHMSXTXCSB-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.74
Rot. Bonds1

About 4-(8-azaspiro[4.5]decan-8-yl)-3-methylaniline

4-(8-azaspiro[4.5]decan-8-yl)-3-methylaniline (PubChem CID 63160515) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-(8-azaspiro[4.5]decan-8-yl)-3-methylaniline.

Molecular Properties

Compound Name4-(8-azaspiro[4.5]decan-8-yl)-3-methylaniline
PubChem CID63160515
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4-(8-azaspiro[4.5]decan-8-yl)-3-methylaniline
SMILESCc1cc(N)ccc1N1CCC2(CCCC2)CC1
InChIInChI=1S/C16H24N2/c1-13-12-14(17)4-5-15(13)18-10-8-16(9-11-18)6-2-3-7-16/h4-5,12H,2-3,6-11,17H2,1H3
InChIKeyCLWIAHMSXTXCSB-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(8-azaspiro[4.5]decan-8-yl)-3-methylaniline?
The IUPAC name of 4-(8-azaspiro[4.5]decan-8-yl)-3-methylaniline (CID 63160515) is 4-(8-azaspiro[4.5]decan-8-yl)-3-methylaniline.
What is the SMILES notation for 4-(8-azaspiro[4.5]decan-8-yl)-3-methylaniline?
The canonical SMILES for 4-(8-azaspiro[4.5]decan-8-yl)-3-methylaniline is Cc1cc(N)ccc1N1CCC2(CCCC2)CC1.
What is the InChIKey of 4-(8-azaspiro[4.5]decan-8-yl)-3-methylaniline?
The InChIKey is CLWIAHMSXTXCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13-12-14(17)4-5-15(13)18-10-8-16(9-11-18)6-2-3-7-16/h4-5,12H,2-3,6-11,17H2,1H3.
What are the key properties of 4-(8-azaspiro[4.5]decan-8-yl)-3-methylaniline?
4-(8-azaspiro[4.5]decan-8-yl)-3-methylaniline has a molecular weight of 244.38 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-azaspiro[4.5]decan-8-yl)-3-methylaniline is sourced from PubChem (CID 63160515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).