tert-butyl N-[3-(1-ethoxypropan-2-ylamino)cyclopentyl]carbamate

C15H30N2O3 — CID 79461904

IUPACtert-butyl N-[3-(1-ethoxypropan-2-ylamino)cyclopentyl]carbamate
SMILESCCOCC(C)NC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H30N2O3/c1-6-19-10-11(2)16-12-7-8-13(9-12)17-14(18)20-15(3,4)5/h11-13,16H,6-10H2,1-5H3,(H,17,18)
InChIKeyCKPOZNUGUXZMOP-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.45
Rot. Bonds6

About tert-butyl N-[3-(1-ethoxypropan-2-ylamino)cyclopentyl]carbamate

tert-butyl N-[3-(1-ethoxypropan-2-ylamino)cyclopentyl]carbamate (PubChem CID 79461904) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-[3-(1-ethoxypropan-2-ylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-ethoxypropan-2-ylamino)cyclopentyl]carbamate
PubChem CID79461904
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-[3-(1-ethoxypropan-2-ylamino)cyclopentyl]carbamate
SMILESCCOCC(C)NC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H30N2O3/c1-6-19-10-11(2)16-12-7-8-13(9-12)17-14(18)20-15(3,4)5/h11-13,16H,6-10H2,1-5H3,(H,17,18)
InChIKeyCKPOZNUGUXZMOP-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-ethoxypropan-2-ylamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-ethoxypropan-2-ylamino)cyclopentyl]carbamate (CID 79461904) is tert-butyl N-[3-(1-ethoxypropan-2-ylamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-ethoxypropan-2-ylamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-ethoxypropan-2-ylamino)cyclopentyl]carbamate is CCOCC(C)NC1CCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(1-ethoxypropan-2-ylamino)cyclopentyl]carbamate?
The InChIKey is CKPOZNUGUXZMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-6-19-10-11(2)16-12-7-8-13(9-12)17-14(18)20-15(3,4)5/h11-13,16H,6-10H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[3-(1-ethoxypropan-2-ylamino)cyclopentyl]carbamate?
tert-butyl N-[3-(1-ethoxypropan-2-ylamino)cyclopentyl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1-ethoxypropan-2-ylamino)cyclopentyl]carbamate is sourced from PubChem (CID 79461904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).