1-aminoethyl N-hexylcarbamate

C9H20N2O2 — CID 91209300

IUPAC1-aminoethyl N-hexylcarbamate
SMILESCCCCCCNC(=O)OC(C)N
InChIInChI=1S/C9H20N2O2/c1-3-4-5-6-7-11-9(12)13-8(2)10/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyXRBVQHYQGGYTBX-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.60
Rot. Bonds6

About 1-aminoethyl N-hexylcarbamate

1-aminoethyl N-hexylcarbamate (PubChem CID 91209300) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-aminoethyl N-hexylcarbamate.

Molecular Properties

Compound Name1-aminoethyl N-hexylcarbamate
PubChem CID91209300
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name1-aminoethyl N-hexylcarbamate
SMILESCCCCCCNC(=O)OC(C)N
InChIInChI=1S/C9H20N2O2/c1-3-4-5-6-7-11-9(12)13-8(2)10/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyXRBVQHYQGGYTBX-UHFFFAOYSA-N
XLogP1.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminoethyl N-hexylcarbamate?
The IUPAC name of 1-aminoethyl N-hexylcarbamate (CID 91209300) is 1-aminoethyl N-hexylcarbamate.
What is the SMILES notation for 1-aminoethyl N-hexylcarbamate?
The canonical SMILES for 1-aminoethyl N-hexylcarbamate is CCCCCCNC(=O)OC(C)N.
What is the InChIKey of 1-aminoethyl N-hexylcarbamate?
The InChIKey is XRBVQHYQGGYTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-4-5-6-7-11-9(12)13-8(2)10/h8H,3-7,10H2,1-2H3,(H,11,12).
What are the key properties of 1-aminoethyl N-hexylcarbamate?
1-aminoethyl N-hexylcarbamate has a molecular weight of 188.27 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethyl N-hexylcarbamate is sourced from PubChem (CID 91209300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).