tert-butyl N-[4-(ethylamino)-5-methoxypentyl]carbamate

C13H28N2O3 — CID 103386940

IUPACtert-butyl N-[4-(ethylamino)-5-methoxypentyl]carbamate
SMILESCCNC(CCCNC(=O)OC(C)(C)C)COC
InChIInChI=1S/C13H28N2O3/c1-6-14-11(10-17-5)8-7-9-15-12(16)18-13(2,3)4/h11,14H,6-10H2,1-5H3,(H,15,16)
InChIKeyBUBFIGNDFYQQHG-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.92
Rot. Bonds8

About tert-butyl N-[4-(ethylamino)-5-methoxypentyl]carbamate

tert-butyl N-[4-(ethylamino)-5-methoxypentyl]carbamate (PubChem CID 103386940) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is tert-butyl N-[4-(ethylamino)-5-methoxypentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(ethylamino)-5-methoxypentyl]carbamate
PubChem CID103386940
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Nametert-butyl N-[4-(ethylamino)-5-methoxypentyl]carbamate
SMILESCCNC(CCCNC(=O)OC(C)(C)C)COC
InChIInChI=1S/C13H28N2O3/c1-6-14-11(10-17-5)8-7-9-15-12(16)18-13(2,3)4/h11,14H,6-10H2,1-5H3,(H,15,16)
InChIKeyBUBFIGNDFYQQHG-UHFFFAOYSA-N
XLogP1.92
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.92
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-[4-(ethylamino)-5-methoxypentyl]carbamate?
The IUPAC name of tert-butyl N-[4-(ethylamino)-5-methoxypentyl]carbamate (CID 103386940) is tert-butyl N-[4-(ethylamino)-5-methoxypentyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(ethylamino)-5-methoxypentyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(ethylamino)-5-methoxypentyl]carbamate is CCNC(CCCNC(=O)OC(C)(C)C)COC.
What is the InChIKey of tert-butyl N-[4-(ethylamino)-5-methoxypentyl]carbamate?
The InChIKey is BUBFIGNDFYQQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-6-14-11(10-17-5)8-7-9-15-12(16)18-13(2,3)4/h11,14H,6-10H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-[4-(ethylamino)-5-methoxypentyl]carbamate?
tert-butyl N-[4-(ethylamino)-5-methoxypentyl]carbamate has a molecular weight of 260.38 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(ethylamino)-5-methoxypentyl]carbamate is sourced from PubChem (CID 103386940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).