tert-butyl N-(1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-methylcarbamate

C14H26N2O4 — CID 19883290

IUPACtert-butyl N-(1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-methylcarbamate
SMILESCN(CC1COC2(CCNCC2)O1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-13(2,3)20-12(17)16(4)9-11-10-18-14(19-11)5-7-15-8-6-14/h11,15H,5-10H2,1-4H3
InChIKeyBZBAGULAMCDNAL-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.35
Rot. Bonds2

About tert-butyl N-(1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-methylcarbamate

tert-butyl N-(1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-methylcarbamate (PubChem CID 19883290) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl N-(1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-methylcarbamate
PubChem CID19883290
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl N-(1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-methylcarbamate
SMILESCN(CC1COC2(CCNCC2)O1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-13(2,3)20-12(17)16(4)9-11-10-18-14(19-11)5-7-15-8-6-14/h11,15H,5-10H2,1-4H3
InChIKeyBZBAGULAMCDNAL-UHFFFAOYSA-N
XLogP1.35
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-(1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-methylcarbamate (CID 19883290) is tert-butyl N-(1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-methylcarbamate is CN(CC1COC2(CCNCC2)O1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-methylcarbamate?
The InChIKey is BZBAGULAMCDNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-13(2,3)20-12(17)16(4)9-11-10-18-14(19-11)5-7-15-8-6-14/h11,15H,5-10H2,1-4H3.
What are the key properties of tert-butyl N-(1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-methylcarbamate?
tert-butyl N-(1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-methylcarbamate has a molecular weight of 286.37 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-methylcarbamate is sourced from PubChem (CID 19883290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).