tert-butyl N-(2-aminoethyl)-N-cycloheptylcarbamate

C14H28N2O2 — CID 50986376

IUPACtert-butyl N-(2-aminoethyl)-N-cycloheptylcarbamate
SMILESCC(C)(C)OC(=O)N(CCN)C1CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-14(2,3)18-13(17)16(11-10-15)12-8-6-4-5-7-9-12/h12H,4-11,15H2,1-3H3
InChIKeyXFRXVRQNXPSDOH-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.90
Rot. Bonds3

About tert-butyl N-(2-aminoethyl)-N-cycloheptylcarbamate

tert-butyl N-(2-aminoethyl)-N-cycloheptylcarbamate (PubChem CID 50986376) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl N-(2-aminoethyl)-N-cycloheptylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-aminoethyl)-N-cycloheptylcarbamate
PubChem CID50986376
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl N-(2-aminoethyl)-N-cycloheptylcarbamate
SMILESCC(C)(C)OC(=O)N(CCN)C1CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-14(2,3)18-13(17)16(11-10-15)12-8-6-4-5-7-9-12/h12H,4-11,15H2,1-3H3
InChIKeyXFRXVRQNXPSDOH-UHFFFAOYSA-N
XLogP2.90
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminoethyl)-N-cycloheptylcarbamate?
The IUPAC name of tert-butyl N-(2-aminoethyl)-N-cycloheptylcarbamate (CID 50986376) is tert-butyl N-(2-aminoethyl)-N-cycloheptylcarbamate.
What is the SMILES notation for tert-butyl N-(2-aminoethyl)-N-cycloheptylcarbamate?
The canonical SMILES for tert-butyl N-(2-aminoethyl)-N-cycloheptylcarbamate is CC(C)(C)OC(=O)N(CCN)C1CCCCCC1.
What is the InChIKey of tert-butyl N-(2-aminoethyl)-N-cycloheptylcarbamate?
The InChIKey is XFRXVRQNXPSDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-14(2,3)18-13(17)16(11-10-15)12-8-6-4-5-7-9-12/h12H,4-11,15H2,1-3H3.
What are the key properties of tert-butyl N-(2-aminoethyl)-N-cycloheptylcarbamate?
tert-butyl N-(2-aminoethyl)-N-cycloheptylcarbamate has a molecular weight of 256.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-aminoethyl)-N-cycloheptylcarbamate is sourced from PubChem (CID 50986376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).