benzyl N-(5-aminopentyl)carbamate

C13H20N2O2 — CID 2794259

IUPACbenzyl N-(5-aminopentyl)carbamate
SMILESNCCCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C13H20N2O2/c14-9-5-2-6-10-15-13(16)17-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11,14H2,(H,15,16)
InChIKeyZZRXQSABHQZWCC-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.04
Rot. Bonds7

About benzyl N-(5-aminopentyl)carbamate

benzyl N-(5-aminopentyl)carbamate (PubChem CID 2794259) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is benzyl N-(5-aminopentyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(5-aminopentyl)carbamate
PubChem CID2794259
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namebenzyl N-(5-aminopentyl)carbamate
SMILESNCCCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C13H20N2O2/c14-9-5-2-6-10-15-13(16)17-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11,14H2,(H,15,16)
InChIKeyZZRXQSABHQZWCC-UHFFFAOYSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.04
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 benzyl N-(5-aminopentyl)carbamate?
The IUPAC name of benzyl N-(5-aminopentyl)carbamate (CID 2794259) is benzyl N-(5-aminopentyl)carbamate.
What is the SMILES notation for benzyl N-(5-aminopentyl)carbamate?
The canonical SMILES for benzyl N-(5-aminopentyl)carbamate is NCCCCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(5-aminopentyl)carbamate?
The InChIKey is ZZRXQSABHQZWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-9-5-2-6-10-15-13(16)17-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11,14H2,(H,15,16).
What are the key properties of benzyl N-(5-aminopentyl)carbamate?
benzyl N-(5-aminopentyl)carbamate has a molecular weight of 236.31 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5-aminopentyl)carbamate is sourced from PubChem (CID 2794259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).