3-(8-tert-butyl-2-azaspiro[4.5]decan-2-yl)-N,N-dimethylpropan-1-amine

C18H36N2 — CID 15634139

IUPAC3-(8-tert-butyl-2-azaspiro[4.5]decan-2-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCC2(CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C18H36N2/c1-17(2,3)16-7-9-18(10-8-16)11-14-20(15-18)13-6-12-19(4)5/h16H,6-15H2,1-5H3
InChIKeyORGQCDIZCHNUNZ-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.87
Rot. Bonds4

About 3-(8-tert-butyl-2-azaspiro[4.5]decan-2-yl)-N,N-dimethylpropan-1-amine

3-(8-tert-butyl-2-azaspiro[4.5]decan-2-yl)-N,N-dimethylpropan-1-amine (PubChem CID 15634139) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 3-(8-tert-butyl-2-azaspiro[4.5]decan-2-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(8-tert-butyl-2-azaspiro[4.5]decan-2-yl)-N,N-dimethylpropan-1-amine
PubChem CID15634139
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name3-(8-tert-butyl-2-azaspiro[4.5]decan-2-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCC2(CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C18H36N2/c1-17(2,3)16-7-9-18(10-8-16)11-14-20(15-18)13-6-12-19(4)5/h16H,6-15H2,1-5H3
InChIKeyORGQCDIZCHNUNZ-UHFFFAOYSA-N
XLogP3.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(8-tert-butyl-2-azaspiro[4.5]decan-2-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(8-tert-butyl-2-azaspiro[4.5]decan-2-yl)-N,N-dimethylpropan-1-amine (CID 15634139) is 3-(8-tert-butyl-2-azaspiro[4.5]decan-2-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(8-tert-butyl-2-azaspiro[4.5]decan-2-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(8-tert-butyl-2-azaspiro[4.5]decan-2-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCN1CCC2(CCC(C(C)(C)C)CC2)C1.
What is the InChIKey of 3-(8-tert-butyl-2-azaspiro[4.5]decan-2-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is ORGQCDIZCHNUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-17(2,3)16-7-9-18(10-8-16)11-14-20(15-18)13-6-12-19(4)5/h16H,6-15H2,1-5H3.
What are the key properties of 3-(8-tert-butyl-2-azaspiro[4.5]decan-2-yl)-N,N-dimethylpropan-1-amine?
3-(8-tert-butyl-2-azaspiro[4.5]decan-2-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-tert-butyl-2-azaspiro[4.5]decan-2-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 15634139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).