tert-butyl N-[(4-aminooxan-2-yl)methyl]carbamate

C11H22N2O3 — CID 172641604

IUPACtert-butyl N-[(4-aminooxan-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CC(N)CCO1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-7-9-6-8(12)4-5-15-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyILLMSBZDMADPST-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.02
Rot. Bonds2

About tert-butyl N-[(4-aminooxan-2-yl)methyl]carbamate

tert-butyl N-[(4-aminooxan-2-yl)methyl]carbamate (PubChem CID 172641604) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[(4-aminooxan-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-aminooxan-2-yl)methyl]carbamate
PubChem CID172641604
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[(4-aminooxan-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CC(N)CCO1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-7-9-6-8(12)4-5-15-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyILLMSBZDMADPST-UHFFFAOYSA-N
XLogP1.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-aminooxan-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-aminooxan-2-yl)methyl]carbamate (CID 172641604) is tert-butyl N-[(4-aminooxan-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-aminooxan-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-aminooxan-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CC(N)CCO1.
What is the InChIKey of tert-butyl N-[(4-aminooxan-2-yl)methyl]carbamate?
The InChIKey is ILLMSBZDMADPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-7-9-6-8(12)4-5-15-9/h8-9H,4-7,12H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-[(4-aminooxan-2-yl)methyl]carbamate?
tert-butyl N-[(4-aminooxan-2-yl)methyl]carbamate has a molecular weight of 230.31 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-aminooxan-2-yl)methyl]carbamate is sourced from PubChem (CID 172641604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).