tert-butyl N-(12-aminododecyl)carbamate

C17H36N2O2 — CID 4115029

IUPACtert-butyl N-(12-aminododecyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCCCCCCCN
InChIInChI=1S/C17H36N2O2/c1-17(2,3)21-16(20)19-15-13-11-9-7-5-4-6-8-10-12-14-18/h4-15,18H2,1-3H3,(H,19,20)
InChIKeyZFSCBYAYUUFEPJ-UHFFFAOYSA-N
MW300.49 g/mol
LogP4.37
Rot. Bonds12

About tert-butyl N-(12-aminododecyl)carbamate

tert-butyl N-(12-aminododecyl)carbamate (PubChem CID 4115029) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is tert-butyl N-(12-aminododecyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(12-aminododecyl)carbamate
PubChem CID4115029
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Nametert-butyl N-(12-aminododecyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCCCCCCCN
InChIInChI=1S/C17H36N2O2/c1-17(2,3)21-16(20)19-15-13-11-9-7-5-4-6-8-10-12-14-18/h4-15,18H2,1-3H3,(H,19,20)
InChIKeyZFSCBYAYUUFEPJ-UHFFFAOYSA-N
XLogP4.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 54.37
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-(12-aminododecyl)carbamate?
The IUPAC name of tert-butyl N-(12-aminododecyl)carbamate (CID 4115029) is tert-butyl N-(12-aminododecyl)carbamate.
What is the SMILES notation for tert-butyl N-(12-aminododecyl)carbamate?
The canonical SMILES for tert-butyl N-(12-aminododecyl)carbamate is CC(C)(C)OC(=O)NCCCCCCCCCCCCN.
What is the InChIKey of tert-butyl N-(12-aminododecyl)carbamate?
The InChIKey is ZFSCBYAYUUFEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-17(2,3)21-16(20)19-15-13-11-9-7-5-4-6-8-10-12-14-18/h4-15,18H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-(12-aminododecyl)carbamate?
tert-butyl N-(12-aminododecyl)carbamate has a molecular weight of 300.49 g/mol, XLogP of 4.37, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(12-aminododecyl)carbamate is sourced from PubChem (CID 4115029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).