tert-butyl N-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]carbamate

C13H28N4O2 — CID 71530921

IUPACtert-butyl N-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCN(CCN)CC1
InChIInChI=1S/C13H28N4O2/c1-13(2,3)19-12(18)15-5-7-17-10-8-16(6-4-14)9-11-17/h4-11,14H2,1-3H3,(H,15,18)
InChIKeyIPYUZPXPIHQPHS-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.09
Rot. Bonds5

About tert-butyl N-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]carbamate

tert-butyl N-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]carbamate (PubChem CID 71530921) has the molecular formula C13H28N4O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]carbamate
PubChem CID71530921
Molecular FormulaC13H28N4O2
Molecular Weight272.39 g/mol
Exact Mass272.22
IUPAC Nametert-butyl N-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCN(CCN)CC1
InChIInChI=1S/C13H28N4O2/c1-13(2,3)19-12(18)15-5-7-17-10-8-16(6-4-14)9-11-17/h4-11,14H2,1-3H3,(H,15,18)
InChIKeyIPYUZPXPIHQPHS-UHFFFAOYSA-N
XLogP0.09
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]carbamate (CID 71530921) is tert-butyl N-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCN1CCN(CCN)CC1.
What is the InChIKey of tert-butyl N-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]carbamate?
The InChIKey is IPYUZPXPIHQPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2/c1-13(2,3)19-12(18)15-5-7-17-10-8-16(6-4-14)9-11-17/h4-11,14H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl N-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]carbamate?
tert-butyl N-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]carbamate has a molecular weight of 272.39 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]carbamate is sourced from PubChem (CID 71530921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).