2-(hexylamino)ethyl carbamate

C9H20N2O2 — CID 83209542

IUPAC2-(hexylamino)ethyl carbamate
SMILESCCCCCCNCCOC(N)=O
InChIInChI=1S/C9H20N2O2/c1-2-3-4-5-6-11-7-8-13-9(10)12/h11H,2-8H2,1H3,(H2,10,12)
InChIKeyKEKZVLRBUQXSFR-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.25
Rot. Bonds8

About 2-(hexylamino)ethyl carbamate

2-(hexylamino)ethyl carbamate (PubChem CID 83209542) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(hexylamino)ethyl carbamate.

Molecular Properties

Compound Name2-(hexylamino)ethyl carbamate
PubChem CID83209542
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-(hexylamino)ethyl carbamate
SMILESCCCCCCNCCOC(N)=O
InChIInChI=1S/C9H20N2O2/c1-2-3-4-5-6-11-7-8-13-9(10)12/h11H,2-8H2,1H3,(H2,10,12)
InChIKeyKEKZVLRBUQXSFR-UHFFFAOYSA-N
XLogP1.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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 2-(hexylamino)ethyl carbamate?
The IUPAC name of 2-(hexylamino)ethyl carbamate (CID 83209542) is 2-(hexylamino)ethyl carbamate.
What is the SMILES notation for 2-(hexylamino)ethyl carbamate?
The canonical SMILES for 2-(hexylamino)ethyl carbamate is CCCCCCNCCOC(N)=O.
What is the InChIKey of 2-(hexylamino)ethyl carbamate?
The InChIKey is KEKZVLRBUQXSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-2-3-4-5-6-11-7-8-13-9(10)12/h11H,2-8H2,1H3,(H2,10,12).
What are the key properties of 2-(hexylamino)ethyl carbamate?
2-(hexylamino)ethyl carbamate has a molecular weight of 188.27 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexylamino)ethyl carbamate is sourced from PubChem (CID 83209542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).