N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]ethanamine

C15H29NO2 — CID 102298117

IUPACN-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]ethanamine
SMILESCCNCC1COC2(CCC(C(C)(C)C)CC2)O1
InChIInChI=1S/C15H29NO2/c1-5-16-10-13-11-17-15(18-13)8-6-12(7-9-15)14(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyAUYSPPNVFQBFHX-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.94
Rot. Bonds3

About N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]ethanamine

N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]ethanamine (PubChem CID 102298117) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]ethanamine
PubChem CID102298117
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]ethanamine
SMILESCCNCC1COC2(CCC(C(C)(C)C)CC2)O1
InChIInChI=1S/C15H29NO2/c1-5-16-10-13-11-17-15(18-13)8-6-12(7-9-15)14(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyAUYSPPNVFQBFHX-UHFFFAOYSA-N
XLogP2.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]ethanamine (CID 102298117) is N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]ethanamine is CCNCC1COC2(CCC(C(C)(C)C)CC2)O1.
What is the InChIKey of N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]ethanamine?
The InChIKey is AUYSPPNVFQBFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-16-10-13-11-17-15(18-13)8-6-12(7-9-15)14(2,3)4/h12-13,16H,5-11H2,1-4H3.
What are the key properties of N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]ethanamine?
N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]ethanamine has a molecular weight of 255.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]ethanamine is sourced from PubChem (CID 102298117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).