benzyl N-(6-aminohexyl)carbamate;hydrochloride

C14H23ClN2O2 — CID 13196229

IUPACbenzyl N-(6-aminohexyl)carbamate;hydrochloride
SMILESCl.NCCCCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C14H22N2O2.ClH/c15-10-6-1-2-7-11-16-14(17)18-12-13-8-4-3-5-9-13;/h3-5,8-9H,1-2,6-7,10-12,15H2,(H,16,17);1H
InChIKeyGMSZGOGHNFZOMF-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.85
Rot. Bonds8

About benzyl N-(6-aminohexyl)carbamate;hydrochloride

benzyl N-(6-aminohexyl)carbamate;hydrochloride (PubChem CID 13196229) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is benzyl N-(6-aminohexyl)carbamate;hydrochloride.

Molecular Properties

Compound Namebenzyl N-(6-aminohexyl)carbamate;hydrochloride
PubChem CID13196229
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Namebenzyl N-(6-aminohexyl)carbamate;hydrochloride
SMILESCl.NCCCCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C14H22N2O2.ClH/c15-10-6-1-2-7-11-16-14(17)18-12-13-8-4-3-5-9-13;/h3-5,8-9H,1-2,6-7,10-12,15H2,(H,16,17);1H
InChIKeyGMSZGOGHNFZOMF-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.85
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-(6-aminohexyl)carbamate;hydrochloride?
The IUPAC name of benzyl N-(6-aminohexyl)carbamate;hydrochloride (CID 13196229) is benzyl N-(6-aminohexyl)carbamate;hydrochloride.
What is the SMILES notation for benzyl N-(6-aminohexyl)carbamate;hydrochloride?
The canonical SMILES for benzyl N-(6-aminohexyl)carbamate;hydrochloride is Cl.NCCCCCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(6-aminohexyl)carbamate;hydrochloride?
The InChIKey is GMSZGOGHNFZOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c15-10-6-1-2-7-11-16-14(17)18-12-13-8-4-3-5-9-13;/h3-5,8-9H,1-2,6-7,10-12,15H2,(H,16,17);1H.
What are the key properties of benzyl N-(6-aminohexyl)carbamate;hydrochloride?
benzyl N-(6-aminohexyl)carbamate;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(6-aminohexyl)carbamate;hydrochloride is sourced from PubChem (CID 13196229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).