tert-butyl N-[[4-(2-methoxyethylamino)cyclohexyl]methyl]carbamate

C15H30N2O3 — CID 22253998

IUPACtert-butyl N-[[4-(2-methoxyethylamino)cyclohexyl]methyl]carbamate
SMILESCOCCNC1CCC(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O3/c1-15(2,3)20-14(18)17-11-12-5-7-13(8-6-12)16-9-10-19-4/h12-13,16H,5-11H2,1-4H3,(H,17,18)
InChIKeyMCUVHONKQBOAFJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.31
Rot. Bonds6

About tert-butyl N-[[4-(2-methoxyethylamino)cyclohexyl]methyl]carbamate

tert-butyl N-[[4-(2-methoxyethylamino)cyclohexyl]methyl]carbamate (PubChem CID 22253998) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-[[4-(2-methoxyethylamino)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(2-methoxyethylamino)cyclohexyl]methyl]carbamate
PubChem CID22253998
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-[[4-(2-methoxyethylamino)cyclohexyl]methyl]carbamate
SMILESCOCCNC1CCC(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O3/c1-15(2,3)20-14(18)17-11-12-5-7-13(8-6-12)16-9-10-19-4/h12-13,16H,5-11H2,1-4H3,(H,17,18)
InChIKeyMCUVHONKQBOAFJ-UHFFFAOYSA-N
XLogP2.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.31
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 tert-butyl N-[[4-(2-methoxyethylamino)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(2-methoxyethylamino)cyclohexyl]methyl]carbamate (CID 22253998) is tert-butyl N-[[4-(2-methoxyethylamino)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(2-methoxyethylamino)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(2-methoxyethylamino)cyclohexyl]methyl]carbamate is COCCNC1CCC(CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[[4-(2-methoxyethylamino)cyclohexyl]methyl]carbamate?
The InChIKey is MCUVHONKQBOAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-15(2,3)20-14(18)17-11-12-5-7-13(8-6-12)16-9-10-19-4/h12-13,16H,5-11H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[[4-(2-methoxyethylamino)cyclohexyl]methyl]carbamate?
tert-butyl N-[[4-(2-methoxyethylamino)cyclohexyl]methyl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(2-methoxyethylamino)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 22253998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).