tert-butyl N-(5-aminohexyl)carbamate

C11H24N2O2 — CID 23599737

IUPACtert-butyl N-(5-aminohexyl)carbamate
SMILESCC(N)CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-9(12)7-5-6-8-13-10(14)15-11(2,3)4/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyOEEWEINPDBGECK-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.03
Rot. Bonds5

About tert-butyl N-(5-aminohexyl)carbamate

tert-butyl N-(5-aminohexyl)carbamate (PubChem CID 23599737) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is tert-butyl N-(5-aminohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-aminohexyl)carbamate
PubChem CID23599737
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Nametert-butyl N-(5-aminohexyl)carbamate
SMILESCC(N)CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-9(12)7-5-6-8-13-10(14)15-11(2,3)4/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyOEEWEINPDBGECK-UHFFFAOYSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(5-aminohexyl)carbamate?
The IUPAC name of tert-butyl N-(5-aminohexyl)carbamate (CID 23599737) is tert-butyl N-(5-aminohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-aminohexyl)carbamate?
The canonical SMILES for tert-butyl N-(5-aminohexyl)carbamate is CC(N)CCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-aminohexyl)carbamate?
The InChIKey is OEEWEINPDBGECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9(12)7-5-6-8-13-10(14)15-11(2,3)4/h9H,5-8,12H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-(5-aminohexyl)carbamate?
tert-butyl N-(5-aminohexyl)carbamate has a molecular weight of 216.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-aminohexyl)carbamate is sourced from PubChem (CID 23599737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).