tert-butyl N-[2-(3,4-dihydro-2H-pyran-6-ylmethylamino)ethyl]carbamate

C13H24N2O3 — CID 126745508

IUPACtert-butyl N-[2-(3,4-dihydro-2H-pyran-6-ylmethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNCC1=CCCCO1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)18-12(16)15-8-7-14-10-11-6-4-5-9-17-11/h6,14H,4-5,7-10H2,1-3H3,(H,15,16)
InChIKeyOIABDLBTFLMJBQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.79
Rot. Bonds5

About tert-butyl N-[2-(3,4-dihydro-2H-pyran-6-ylmethylamino)ethyl]carbamate

tert-butyl N-[2-(3,4-dihydro-2H-pyran-6-ylmethylamino)ethyl]carbamate (PubChem CID 126745508) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl N-[2-(3,4-dihydro-2H-pyran-6-ylmethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,4-dihydro-2H-pyran-6-ylmethylamino)ethyl]carbamate
PubChem CID126745508
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl N-[2-(3,4-dihydro-2H-pyran-6-ylmethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNCC1=CCCCO1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)18-12(16)15-8-7-14-10-11-6-4-5-9-17-11/h6,14H,4-5,7-10H2,1-3H3,(H,15,16)
InChIKeyOIABDLBTFLMJBQ-UHFFFAOYSA-N
XLogP1.79
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.79
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,4-dihydro-2H-pyran-6-ylmethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,4-dihydro-2H-pyran-6-ylmethylamino)ethyl]carbamate (CID 126745508) is tert-butyl N-[2-(3,4-dihydro-2H-pyran-6-ylmethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,4-dihydro-2H-pyran-6-ylmethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,4-dihydro-2H-pyran-6-ylmethylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNCC1=CCCCO1.
What is the InChIKey of tert-butyl N-[2-(3,4-dihydro-2H-pyran-6-ylmethylamino)ethyl]carbamate?
The InChIKey is OIABDLBTFLMJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,3)18-12(16)15-8-7-14-10-11-6-4-5-9-17-11/h6,14H,4-5,7-10H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-[2-(3,4-dihydro-2H-pyran-6-ylmethylamino)ethyl]carbamate?
tert-butyl N-[2-(3,4-dihydro-2H-pyran-6-ylmethylamino)ethyl]carbamate has a molecular weight of 256.35 g/mol, XLogP of 1.79, 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-(3,4-dihydro-2H-pyran-6-ylmethylamino)ethyl]carbamate is sourced from PubChem (CID 126745508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).