tert-butyl N-(6-aminohexyl)carbamate

C11H24N2O2 — CID 2733170

IUPACtert-butyl N-(6-aminohexyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCN
InChIInChI=1S/C11H24N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12/h4-9,12H2,1-3H3,(H,13,14)
InChIKeyRVZPDKXEHIRFPM-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.03
Rot. Bonds6

About tert-butyl N-(6-aminohexyl)carbamate

tert-butyl N-(6-aminohexyl)carbamate (PubChem CID 2733170) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is tert-butyl N-(6-aminohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-aminohexyl)carbamate
PubChem CID2733170
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Nametert-butyl N-(6-aminohexyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCN
InChIInChI=1S/C11H24N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12/h4-9,12H2,1-3H3,(H,13,14)
InChIKeyRVZPDKXEHIRFPM-UHFFFAOYSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-(6-aminohexyl)carbamate?
The IUPAC name of tert-butyl N-(6-aminohexyl)carbamate (CID 2733170) is tert-butyl N-(6-aminohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(6-aminohexyl)carbamate?
The canonical SMILES for tert-butyl N-(6-aminohexyl)carbamate is CC(C)(C)OC(=O)NCCCCCCN.
What is the InChIKey of tert-butyl N-(6-aminohexyl)carbamate?
The InChIKey is RVZPDKXEHIRFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12/h4-9,12H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(6-aminohexyl)carbamate?
tert-butyl N-(6-aminohexyl)carbamate has a molecular weight of 216.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-aminohexyl)carbamate is sourced from PubChem (CID 2733170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).