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

C10H22N2O2 — CID 14925148

IUPACtert-butyl N-(2-aminoethyl)-N-propylcarbamate
SMILESCCCN(CCN)C(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-5-7-12(8-6-11)9(13)14-10(2,3)4/h5-8,11H2,1-4H3
InChIKeyXQUOSTRRFPZQLE-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.59
Rot. Bonds4

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

tert-butyl N-(2-aminoethyl)-N-propylcarbamate (PubChem CID 14925148) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is tert-butyl N-(2-aminoethyl)-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-aminoethyl)-N-propylcarbamate
PubChem CID14925148
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nametert-butyl N-(2-aminoethyl)-N-propylcarbamate
SMILESCCCN(CCN)C(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-5-7-12(8-6-11)9(13)14-10(2,3)4/h5-8,11H2,1-4H3
InChIKeyXQUOSTRRFPZQLE-UHFFFAOYSA-N
XLogP1.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-1-Boc-3-methylpiperazine
CID 7023035
tert-Butyl (2S)-2-methylpiperazine-1-carboxylate
CID 10081508
tert-Butyl piperazine-1-carboxylate
CID 143452
Tert-butyl 1,4-diazepane-1-carboxylate
CID 2756058
1-(2-N-Boc-aminoethyl)piperazine
CID 1514401
tert-Butyl 3-methylpiperazine-1-carboxylate
CID 2756810
1-Boc-3,3-dimethylpiperazine
CID 22710387
tert-butyl N-(1-aminopropan-2-yl)-N-methylcarbamate
CID 64421304
N-BOC-ethylenediamine
CID 187201
(R)-(+)-1-Boc-3-aminopyrrolidine
CID 854070
(R)-1-Boc-3-methylpiperazine
CID 2756811
tert-butyl N-{2-[(2-{[(tert-butoxy)carbonyl]amino}ethyl)amino]ethyl}carbamate
CID 15157893

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminoethyl)-N-propylcarbamate?
The IUPAC name of tert-butyl N-(2-aminoethyl)-N-propylcarbamate (CID 14925148) is tert-butyl N-(2-aminoethyl)-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-(2-aminoethyl)-N-propylcarbamate?
The canonical SMILES for tert-butyl N-(2-aminoethyl)-N-propylcarbamate is CCCN(CCN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-aminoethyl)-N-propylcarbamate?
The InChIKey is XQUOSTRRFPZQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-5-7-12(8-6-11)9(13)14-10(2,3)4/h5-8,11H2,1-4H3.
What are the key properties of tert-butyl N-(2-aminoethyl)-N-propylcarbamate?
tert-butyl N-(2-aminoethyl)-N-propylcarbamate has a molecular weight of 202.30 g/mol, XLogP of 1.59, 4 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-propylcarbamate is sourced from PubChem (CID 14925148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).