tert-butyl N-[2-[2-(cyclohexylamino)propoxy]ethyl]carbamate

C16H32N2O3 — CID 166848253

IUPACtert-butyl N-[2-[2-(cyclohexylamino)propoxy]ethyl]carbamate
SMILESCC(COCCNC(=O)OC(C)(C)C)NC1CCCCC1
InChIInChI=1S/C16H32N2O3/c1-13(18-14-8-6-5-7-9-14)12-20-11-10-17-15(19)21-16(2,3)4/h13-14,18H,5-12H2,1-4H3,(H,17,19)
InChIKeyKOINNKSPMLQDHX-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.84
Rot. Bonds7

About tert-butyl N-[2-[2-(cyclohexylamino)propoxy]ethyl]carbamate

tert-butyl N-[2-[2-(cyclohexylamino)propoxy]ethyl]carbamate (PubChem CID 166848253) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(cyclohexylamino)propoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(cyclohexylamino)propoxy]ethyl]carbamate
PubChem CID166848253
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[2-[2-(cyclohexylamino)propoxy]ethyl]carbamate
SMILESCC(COCCNC(=O)OC(C)(C)C)NC1CCCCC1
InChIInChI=1S/C16H32N2O3/c1-13(18-14-8-6-5-7-9-14)12-20-11-10-17-15(19)21-16(2,3)4/h13-14,18H,5-12H2,1-4H3,(H,17,19)
InChIKeyKOINNKSPMLQDHX-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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(cyclohexylamino)propoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(cyclohexylamino)propoxy]ethyl]carbamate (CID 166848253) is tert-butyl N-[2-[2-(cyclohexylamino)propoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(cyclohexylamino)propoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(cyclohexylamino)propoxy]ethyl]carbamate is CC(COCCNC(=O)OC(C)(C)C)NC1CCCCC1.
What is the InChIKey of tert-butyl N-[2-[2-(cyclohexylamino)propoxy]ethyl]carbamate?
The InChIKey is KOINNKSPMLQDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-13(18-14-8-6-5-7-9-14)12-20-11-10-17-15(19)21-16(2,3)4/h13-14,18H,5-12H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[2-[2-(cyclohexylamino)propoxy]ethyl]carbamate?
tert-butyl N-[2-[2-(cyclohexylamino)propoxy]ethyl]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-(cyclohexylamino)propoxy]ethyl]carbamate is sourced from PubChem (CID 166848253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).