tert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate

C12H24N2O3 — CID 50986378

IUPACtert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate
SMILESCC(C)(C)OC(=O)N(CCN)C1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14(7-6-13)10-4-8-16-9-5-10/h10H,4-9,13H2,1-3H3
InChIKeyYNFVHETUOMTUAT-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.36
Rot. Bonds3

About tert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate

tert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate (PubChem CID 50986378) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate
PubChem CID50986378
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate
SMILESCC(C)(C)OC(=O)N(CCN)C1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14(7-6-13)10-4-8-16-9-5-10/h10H,4-9,13H2,1-3H3
InChIKeyYNFVHETUOMTUAT-UHFFFAOYSA-N
XLogP1.36
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-methylprop-2-enyl)-N-(oxan-4-yl)carbamate
CID 177317159
ethyl 4-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
CID 124907567
tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate
CID 50987781
tert-butyl N-(2-aminoethyl)-N-(2-methylcyclohexyl)carbamate
CID 50987788
tert-butyl N-cyclopropyl-N-[2-(oxepan-4-ylamino)ethyl]carbamate
CID 103894802
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
tert-butyl N-(4-methylcyclohexyl)-N-(oxan-4-yl)carbamate
CID 155630413
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
tert-butyl N-(1-aminopiperidin-4-yl)-N-propylcarbamate
CID 71276149
tert-butyl N-methyl-N-[2-[methyl-[(3S)-oxolan-3-yl]amino]ethyl]carbamate
CID 129433606
2-amino-N-(2-methoxyethyl)-N-(oxan-4-yl)acetamide
CID 121203582
ethyl 3-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 22397343

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate?
The IUPAC name of tert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate (CID 50986378) is tert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate is CC(C)(C)OC(=O)N(CCN)C1CCOCC1.
What is the InChIKey of tert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate?
The InChIKey is YNFVHETUOMTUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14(7-6-13)10-4-8-16-9-5-10/h10H,4-9,13H2,1-3H3.
What are the key properties of tert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate?
tert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate has a molecular weight of 244.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate is sourced from PubChem (CID 50986378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).