tert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate

C16H32N2O3 — CID 103389977

IUPACtert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCCOC1CCCCC1
InChIInChI=1S/C16H32N2O3/c1-13(12-18-15(19)21-16(2,3)4)17-10-11-20-14-8-6-5-7-9-14/h13-14,17H,5-12H2,1-4H3,(H,18,19)
InChIKeyVRSQMXBPLASXMP-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.84
Rot. Bonds7

About tert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate

tert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate (PubChem CID 103389977) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate
PubChem CID103389977
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCCOC1CCCCC1
InChIInChI=1S/C16H32N2O3/c1-13(12-18-15(19)21-16(2,3)4)17-10-11-20-14-8-6-5-7-9-14/h13-14,17H,5-12H2,1-4H3,(H,18,19)
InChIKeyVRSQMXBPLASXMP-UHFFFAOYSA-N
XLogP2.84
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
CID 103387396
tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate
CID 103389692
tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532
tert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate
CID 103387621
tert-butyl N-[2-[2-(4-methylcyclohexyl)ethylamino]propyl]carbamate
CID 103390031
tert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate
CID 103390326
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-(piperidin-2-ylmethylamino)propyl]carbamate
CID 107248267
ethyl 3-(2-cyclohexyloxyethylamino)butanoate
CID 63828571
tert-butyl N-[3-(2-cyclohexyloxyethylamino)cyclobutyl]carbamate
CID 103759643

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate (CID 103389977) is tert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NCCOC1CCCCC1.
What is the InChIKey of tert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate?
The InChIKey is VRSQMXBPLASXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-13(12-18-15(19)21-16(2,3)4)17-10-11-20-14-8-6-5-7-9-14/h13-14,17H,5-12H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate?
tert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate has a molecular weight of 300.44 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate is sourced from PubChem (CID 103389977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).