tert-butyl N-[4-(1-aminoethyl)oxan-3-yl]-N-methylcarbamate

C13H26N2O3 — CID 163552473

IUPACtert-butyl N-[4-(1-aminoethyl)oxan-3-yl]-N-methylcarbamate
SMILESCC(N)C1CCOCC1N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-9(14)10-6-7-17-8-11(10)15(5)12(16)18-13(2,3)4/h9-11H,6-8,14H2,1-5H3
InChIKeyFKEXPTYEYJJKEM-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.61
Rot. Bonds2

About tert-butyl N-[4-(1-aminoethyl)oxan-3-yl]-N-methylcarbamate

tert-butyl N-[4-(1-aminoethyl)oxan-3-yl]-N-methylcarbamate (PubChem CID 163552473) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl N-[4-(1-aminoethyl)oxan-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1-aminoethyl)oxan-3-yl]-N-methylcarbamate
PubChem CID163552473
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl N-[4-(1-aminoethyl)oxan-3-yl]-N-methylcarbamate
SMILESCC(N)C1CCOCC1N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-9(14)10-6-7-17-8-11(10)15(5)12(16)18-13(2,3)4/h9-11H,6-8,14H2,1-5H3
InChIKeyFKEXPTYEYJJKEM-UHFFFAOYSA-N
XLogP1.61
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(dioxan-4-yl)-N-methylcarbamate
CID 175356667
trans-(1S,2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid
CID 154279846
tert-butyl N-methyl-N-[2-[methyl-[(3S)-oxolan-3-yl]amino]ethyl]carbamate
CID 129433606
(2S,3S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-[(3S)-oxolan-3-yl]oxybutanoic acid
CID 86718371
tert-butyl N-methyl-N-[2-methyl-3-(oxolan-3-ylmethylamino)propyl]carbamate
CID 103897090
tert-butyl N-methyl-N-(3-methylpiperidin-4-yl)carbamate
CID 53415355
tert-butyl N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate
CID 58332169
tert-butyl N-[(2S)-1-amino-3-(oxan-4-yl)-1-oxopropan-2-yl]-N-methylcarbamate
CID 58330029
tert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate
CID 118422917
tert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate
CID 50986378
tert-butyl N-tert-butyl-N-[2-[1-(oxolan-3-yl)ethylamino]ethyl]carbamate
CID 107446215
methyl (2R)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]propanoate
CID 95299629

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1-aminoethyl)oxan-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-(1-aminoethyl)oxan-3-yl]-N-methylcarbamate (CID 163552473) is tert-butyl N-[4-(1-aminoethyl)oxan-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-(1-aminoethyl)oxan-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-(1-aminoethyl)oxan-3-yl]-N-methylcarbamate is CC(N)C1CCOCC1N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(1-aminoethyl)oxan-3-yl]-N-methylcarbamate?
The InChIKey is FKEXPTYEYJJKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9(14)10-6-7-17-8-11(10)15(5)12(16)18-13(2,3)4/h9-11H,6-8,14H2,1-5H3.
What are the key properties of tert-butyl N-[4-(1-aminoethyl)oxan-3-yl]-N-methylcarbamate?
tert-butyl N-[4-(1-aminoethyl)oxan-3-yl]-N-methylcarbamate has a molecular weight of 258.36 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1-aminoethyl)oxan-3-yl]-N-methylcarbamate is sourced from PubChem (CID 163552473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).