N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-3-methylaniline

C18H28N2 — CID 63503965

IUPACN-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-3-methylaniline
SMILESCc1cccc(NCCN2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C18H28N2/c1-16-5-4-6-17(15-16)19-11-14-20-12-9-18(10-13-20)7-2-3-8-18/h4-6,15,19H,2-3,7-14H2,1H3
InChIKeyJBOMSNKMBUELMH-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.06
Rot. Bonds4

About N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-3-methylaniline

N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-3-methylaniline (PubChem CID 63503965) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-3-methylaniline.

Molecular Properties

Compound NameN-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-3-methylaniline
PubChem CID63503965
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-3-methylaniline
SMILESCc1cccc(NCCN2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C18H28N2/c1-16-5-4-6-17(15-16)19-11-14-20-12-9-18(10-13-20)7-2-3-8-18/h4-6,15,19H,2-3,7-14H2,1H3
InChIKeyJBOMSNKMBUELMH-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-3-methylaniline?
The IUPAC name of N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-3-methylaniline (CID 63503965) is N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-3-methylaniline.
What is the SMILES notation for N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-3-methylaniline?
The canonical SMILES for N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-3-methylaniline is Cc1cccc(NCCN2CCC3(CCCC3)CC2)c1.
What is the InChIKey of N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-3-methylaniline?
The InChIKey is JBOMSNKMBUELMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-16-5-4-6-17(15-16)19-11-14-20-12-9-18(10-13-20)7-2-3-8-18/h4-6,15,19H,2-3,7-14H2,1H3.
What are the key properties of N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-3-methylaniline?
N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-3-methylaniline has a molecular weight of 272.44 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-3-methylaniline is sourced from PubChem (CID 63503965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).