tert-butyl N-(5-aminopentyl)carbamate

C10H22N2O2 — CID 4352

IUPACtert-butyl N-(5-aminopentyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCCN
InChIInChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11/h4-8,11H2,1-3H3,(H,12,13)
InChIKeyDPLOGSUBQDREOU-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.64
Rot. Bonds5

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

tert-butyl N-(5-aminopentyl)carbamate (PubChem CID 4352) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is tert-butyl N-(5-aminopentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-aminopentyl)carbamate
PubChem CID4352
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nametert-butyl N-(5-aminopentyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCCN
InChIInChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11/h4-8,11H2,1-3H3,(H,12,13)
InChIKeyDPLOGSUBQDREOU-UHFFFAOYSA-N
XLogP1.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.64
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-aminopentyl)carbamate?
The IUPAC name of tert-butyl N-(5-aminopentyl)carbamate (CID 4352) is tert-butyl N-(5-aminopentyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-aminopentyl)carbamate?
The canonical SMILES for tert-butyl N-(5-aminopentyl)carbamate is CC(C)(C)OC(=O)NCCCCCN.
What is the InChIKey of tert-butyl N-(5-aminopentyl)carbamate?
The InChIKey is DPLOGSUBQDREOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11/h4-8,11H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-(5-aminopentyl)carbamate?
tert-butyl N-(5-aminopentyl)carbamate has a molecular weight of 202.30 g/mol, XLogP of 1.64, 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-aminopentyl)carbamate is sourced from PubChem (CID 4352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).