propyl N-(2-aminocyclohexyl)-N-ethylcarbamate

C12H24N2O2 — CID 175258592

IUPACpropyl N-(2-aminocyclohexyl)-N-ethylcarbamate
SMILESCCCOC(=O)N(CC)C1CCCCC1N
InChIInChI=1S/C12H24N2O2/c1-3-9-16-12(15)14(4-2)11-8-6-5-7-10(11)13/h10-11H,3-9,13H2,1-2H3
InChIKeyKMAGYZIPYQQYEC-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.12
Rot. Bonds4

About propyl N-(2-aminocyclohexyl)-N-ethylcarbamate

propyl N-(2-aminocyclohexyl)-N-ethylcarbamate (PubChem CID 175258592) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is propyl N-(2-aminocyclohexyl)-N-ethylcarbamate.

Molecular Properties

Compound Namepropyl N-(2-aminocyclohexyl)-N-ethylcarbamate
PubChem CID175258592
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namepropyl N-(2-aminocyclohexyl)-N-ethylcarbamate
SMILESCCCOC(=O)N(CC)C1CCCCC1N
InChIInChI=1S/C12H24N2O2/c1-3-9-16-12(15)14(4-2)11-8-6-5-7-10(11)13/h10-11H,3-9,13H2,1-2H3
InChIKeyKMAGYZIPYQQYEC-UHFFFAOYSA-N
XLogP2.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl N-(2-aminocyclohexyl)-N-ethylcarbamate?
The IUPAC name of propyl N-(2-aminocyclohexyl)-N-ethylcarbamate (CID 175258592) is propyl N-(2-aminocyclohexyl)-N-ethylcarbamate.
What is the SMILES notation for propyl N-(2-aminocyclohexyl)-N-ethylcarbamate?
The canonical SMILES for propyl N-(2-aminocyclohexyl)-N-ethylcarbamate is CCCOC(=O)N(CC)C1CCCCC1N.
What is the InChIKey of propyl N-(2-aminocyclohexyl)-N-ethylcarbamate?
The InChIKey is KMAGYZIPYQQYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-9-16-12(15)14(4-2)11-8-6-5-7-10(11)13/h10-11H,3-9,13H2,1-2H3.
What are the key properties of propyl N-(2-aminocyclohexyl)-N-ethylcarbamate?
propyl N-(2-aminocyclohexyl)-N-ethylcarbamate has a molecular weight of 228.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(2-aminocyclohexyl)-N-ethylcarbamate is sourced from PubChem (CID 175258592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).