ethyl N-(6-aminohexyl)carbamate

C9H20N2O2 — CID 533939

IUPACethyl N-(6-aminohexyl)carbamate
SMILESCCOC(=O)NCCCCCCN
InChIInChI=1S/C9H20N2O2/c1-2-13-9(12)11-8-6-4-3-5-7-10/h2-8,10H2,1H3,(H,11,12)
InChIKeyQXRUUVQRGJUYCK-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.25
Rot. Bonds7

About ethyl N-(6-aminohexyl)carbamate

ethyl N-(6-aminohexyl)carbamate (PubChem CID 533939) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is ethyl N-(6-aminohexyl)carbamate.

Molecular Properties

Compound Nameethyl N-(6-aminohexyl)carbamate
PubChem CID533939
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Nameethyl N-(6-aminohexyl)carbamate
SMILESCCOC(=O)NCCCCCCN
InChIInChI=1S/C9H20N2O2/c1-2-13-9(12)11-8-6-4-3-5-7-10/h2-8,10H2,1H3,(H,11,12)
InChIKeyQXRUUVQRGJUYCK-UHFFFAOYSA-N
XLogP1.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.25
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 ethyl N-(6-aminohexyl)carbamate?
The IUPAC name of ethyl N-(6-aminohexyl)carbamate (CID 533939) is ethyl N-(6-aminohexyl)carbamate.
What is the SMILES notation for ethyl N-(6-aminohexyl)carbamate?
The canonical SMILES for ethyl N-(6-aminohexyl)carbamate is CCOC(=O)NCCCCCCN.
What is the InChIKey of ethyl N-(6-aminohexyl)carbamate?
The InChIKey is QXRUUVQRGJUYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-2-13-9(12)11-8-6-4-3-5-7-10/h2-8,10H2,1H3,(H,11,12).
What are the key properties of ethyl N-(6-aminohexyl)carbamate?
ethyl N-(6-aminohexyl)carbamate has a molecular weight of 188.27 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(6-aminohexyl)carbamate is sourced from PubChem (CID 533939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).