[4-(2-methoxyethylamino)cyclohexyl] N-tert-butylcarbamate

C14H28N2O3 — CID 175281282

IUPAC[4-(2-methoxyethylamino)cyclohexyl] N-tert-butylcarbamate
SMILESCOCCNC1CCC(OC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O3/c1-14(2,3)16-13(17)19-12-7-5-11(6-8-12)15-9-10-18-4/h11-12,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyCQARDDLWKRVVRM-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.06
Rot. Bonds5

About [4-(2-methoxyethylamino)cyclohexyl] N-tert-butylcarbamate

[4-(2-methoxyethylamino)cyclohexyl] N-tert-butylcarbamate (PubChem CID 175281282) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is [4-(2-methoxyethylamino)cyclohexyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[4-(2-methoxyethylamino)cyclohexyl] N-tert-butylcarbamate
PubChem CID175281282
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name[4-(2-methoxyethylamino)cyclohexyl] N-tert-butylcarbamate
SMILESCOCCNC1CCC(OC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O3/c1-14(2,3)16-13(17)19-12-7-5-11(6-8-12)15-9-10-18-4/h11-12,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyCQARDDLWKRVVRM-UHFFFAOYSA-N
XLogP2.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [4-(2-methoxyethylamino)cyclohexyl] N-tert-butylcarbamate?
The IUPAC name of [4-(2-methoxyethylamino)cyclohexyl] N-tert-butylcarbamate (CID 175281282) is [4-(2-methoxyethylamino)cyclohexyl] N-tert-butylcarbamate.
What is the SMILES notation for [4-(2-methoxyethylamino)cyclohexyl] N-tert-butylcarbamate?
The canonical SMILES for [4-(2-methoxyethylamino)cyclohexyl] N-tert-butylcarbamate is COCCNC1CCC(OC(=O)NC(C)(C)C)CC1.
What is the InChIKey of [4-(2-methoxyethylamino)cyclohexyl] N-tert-butylcarbamate?
The InChIKey is CQARDDLWKRVVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-14(2,3)16-13(17)19-12-7-5-11(6-8-12)15-9-10-18-4/h11-12,15H,5-10H2,1-4H3,(H,16,17).
What are the key properties of [4-(2-methoxyethylamino)cyclohexyl] N-tert-butylcarbamate?
[4-(2-methoxyethylamino)cyclohexyl] N-tert-butylcarbamate has a molecular weight of 272.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethylamino)cyclohexyl] N-tert-butylcarbamate is sourced from PubChem (CID 175281282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).