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

C14H26N2O4 — CID 146152334

IUPACtert-butyl N-[(8-amino-1,4-dioxaspiro[4.5]decan-8-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(N)CCC2(CC1)OCCO2
InChIInChI=1S/C14H26N2O4/c1-12(2,3)20-11(17)16-10-13(15)4-6-14(7-5-13)18-8-9-19-14/h4-10,15H2,1-3H3,(H,16,17)
InChIKeyRFQRJDQWVQBBRJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.53
Rot. Bonds2

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

tert-butyl N-[(8-amino-1,4-dioxaspiro[4.5]decan-8-yl)methyl]carbamate (PubChem CID 146152334) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl N-[(8-amino-1,4-dioxaspiro[4.5]decan-8-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(8-amino-1,4-dioxaspiro[4.5]decan-8-yl)methyl]carbamate
PubChem CID146152334
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl N-[(8-amino-1,4-dioxaspiro[4.5]decan-8-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(N)CCC2(CC1)OCCO2
InChIInChI=1S/C14H26N2O4/c1-12(2,3)20-11(17)16-10-13(15)4-6-14(7-5-13)18-8-9-19-14/h4-10,15H2,1-3H3,(H,16,17)
InChIKeyRFQRJDQWVQBBRJ-UHFFFAOYSA-N
XLogP1.53
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(3-aminothian-3-yl)methyl]carbamate
CID 84803204
tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate
CID 130674392
tert-butyl N-[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamate
CID 170551087
tert-butyl N-[(5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl)methyl]carbamate
CID 134988529
tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate
CID 119032070
ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
CID 119022713
tert-butyl N-[[3-(2-oxopropyl)oxetan-3-yl]methyl]carbamate
CID 90325385
methyl 1-[[[1-[[[1-[[[1-[[[1-[[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylate
CID 100993658
tert-butyl N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]carbamate
CID 71942740
methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate
CID 139401080
tert-butyl N-[2-(3-hydroxyoxolan-3-yl)ethyl]carbamate
CID 105489495
tert-butyl (3R)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-oxooxolane-3-carboxylate
CID 102167651

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(8-amino-1,4-dioxaspiro[4.5]decan-8-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(8-amino-1,4-dioxaspiro[4.5]decan-8-yl)methyl]carbamate (CID 146152334) is tert-butyl N-[(8-amino-1,4-dioxaspiro[4.5]decan-8-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(8-amino-1,4-dioxaspiro[4.5]decan-8-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(8-amino-1,4-dioxaspiro[4.5]decan-8-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1(N)CCC2(CC1)OCCO2.
What is the InChIKey of tert-butyl N-[(8-amino-1,4-dioxaspiro[4.5]decan-8-yl)methyl]carbamate?
The InChIKey is RFQRJDQWVQBBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-12(2,3)20-11(17)16-10-13(15)4-6-14(7-5-13)18-8-9-19-14/h4-10,15H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[(8-amino-1,4-dioxaspiro[4.5]decan-8-yl)methyl]carbamate?
tert-butyl N-[(8-amino-1,4-dioxaspiro[4.5]decan-8-yl)methyl]carbamate has a molecular weight of 286.37 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(8-amino-1,4-dioxaspiro[4.5]decan-8-yl)methyl]carbamate is sourced from PubChem (CID 146152334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).