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

Name: Tert-butyl N-[2-[2-(cyclohexylamino)propoxy]ethyl]carbamate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₃₂N₂O₃ — CID 166848253

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Tert-butyl N-[2-[2-(cyclohexylamino)propoxy]ethyl]carbamate
PubChem CID	166848253
Molecular Formula	C₁₆H₃₂N₂O₃
Molecular Weight	300.44 g/mol
Exact Mass	300.24
IUPAC Name	tert-butyl N-[2-[2-(cyclohexylamino)propoxy]ethyl]carbamate
SMILES	CC(COCCNC(=O)OC(C)(C)C)NC1CCCCC1
InChI	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)
InChIKey	KOINNKSPMLQDHX-UHFFFAOYSA-N
XLogP	2.84
TPSA	59.59 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.44
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

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).

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Sources

PubChem CID 166848253 — identifiers, structure, computed properties (public domain)

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