2-methylpropyl N-(2-aminoethyl)-N-cyclohexylcarbamate

C13H26N2O2 — CID 55242551

IUPAC2-methylpropyl N-(2-aminoethyl)-N-cyclohexylcarbamate
SMILESCC(C)COC(=O)N(CCN)C1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-11(2)10-17-13(16)15(9-8-14)12-6-4-3-5-7-12/h11-12H,3-10,14H2,1-2H3
InChIKeyIRYXGXOBBOEECT-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.37
Rot. Bonds5

About 2-methylpropyl N-(2-aminoethyl)-N-cyclohexylcarbamate

2-methylpropyl N-(2-aminoethyl)-N-cyclohexylcarbamate (PubChem CID 55242551) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-methylpropyl N-(2-aminoethyl)-N-cyclohexylcarbamate.

Molecular Properties

Compound Name2-methylpropyl N-(2-aminoethyl)-N-cyclohexylcarbamate
PubChem CID55242551
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-methylpropyl N-(2-aminoethyl)-N-cyclohexylcarbamate
SMILESCC(C)COC(=O)N(CCN)C1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-11(2)10-17-13(16)15(9-8-14)12-6-4-3-5-7-12/h11-12H,3-10,14H2,1-2H3
InChIKeyIRYXGXOBBOEECT-UHFFFAOYSA-N
XLogP2.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63755155

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(2-aminoethyl)-N-cyclohexylcarbamate?
The IUPAC name of 2-methylpropyl N-(2-aminoethyl)-N-cyclohexylcarbamate (CID 55242551) is 2-methylpropyl N-(2-aminoethyl)-N-cyclohexylcarbamate.
What is the SMILES notation for 2-methylpropyl N-(2-aminoethyl)-N-cyclohexylcarbamate?
The canonical SMILES for 2-methylpropyl N-(2-aminoethyl)-N-cyclohexylcarbamate is CC(C)COC(=O)N(CCN)C1CCCCC1.
What is the InChIKey of 2-methylpropyl N-(2-aminoethyl)-N-cyclohexylcarbamate?
The InChIKey is IRYXGXOBBOEECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)10-17-13(16)15(9-8-14)12-6-4-3-5-7-12/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 2-methylpropyl N-(2-aminoethyl)-N-cyclohexylcarbamate?
2-methylpropyl N-(2-aminoethyl)-N-cyclohexylcarbamate has a molecular weight of 242.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(2-aminoethyl)-N-cyclohexylcarbamate is sourced from PubChem (CID 55242551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).