tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate

C12H24N2O3 — CID 115607413

IUPACtert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNCC1CCOC1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-6-5-13-8-10-4-7-16-9-10/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyIBFTUWVKNFCECY-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.14
Rot. Bonds5

About tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate

tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate (PubChem CID 115607413) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate
PubChem CID115607413
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNCC1CCOC1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-6-5-13-8-10-4-7-16-9-10/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyIBFTUWVKNFCECY-UHFFFAOYSA-N
XLogP1.14
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(oxan-3-ylmethyl)carbamate
CID 63788882
tert-butyl N-[(E)-4-(oxan-4-ylmethylamino)but-2-enyl]carbamate
CID 107253288
tert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 79698015
tert-butyl N-[2-(oxan-4-ylamino)ethyl]carbamate
CID 58117128
tert-butyl N-[[2-(oxan-3-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695439
tert-butyl 2-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244402
tert-butyl N-[2-[(2-methylcyclohexyl)methylamino]ethyl]carbamate
CID 112688812
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol
CID 79360440
tert-butyl N-[[2-(oxan-4-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695505
tert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride
CID 119031291
tert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate
CID 107238309

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate (CID 115607413) is tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNCC1CCOC1.
What is the InChIKey of tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate?
The InChIKey is IBFTUWVKNFCECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-6-5-13-8-10-4-7-16-9-10/h10,13H,4-9H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate?
tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate has a molecular weight of 244.33 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate is sourced from PubChem (CID 115607413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).