tert-butyl N-[1-(2-aminoethyl)cyclopropyl]-N-ethylcarbamate

C12H24N2O2 — CID 84692072

IUPACtert-butyl N-[1-(2-aminoethyl)cyclopropyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)C1(CCN)CC1
InChIInChI=1S/C12H24N2O2/c1-5-14(10(15)16-11(2,3)4)12(6-7-12)8-9-13/h5-9,13H2,1-4H3
InChIKeyDEIWNTZVYLMQLH-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.12
Rot. Bonds4

About tert-butyl N-[1-(2-aminoethyl)cyclopropyl]-N-ethylcarbamate

tert-butyl N-[1-(2-aminoethyl)cyclopropyl]-N-ethylcarbamate (PubChem CID 84692072) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-[1-(2-aminoethyl)cyclopropyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-aminoethyl)cyclopropyl]-N-ethylcarbamate
PubChem CID84692072
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-[1-(2-aminoethyl)cyclopropyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)C1(CCN)CC1
InChIInChI=1S/C12H24N2O2/c1-5-14(10(15)16-11(2,3)4)12(6-7-12)8-9-13/h5-9,13H2,1-4H3
InChIKeyDEIWNTZVYLMQLH-UHFFFAOYSA-N
XLogP2.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[1-(2-aminoethyl)cyclopropyl]-N-ethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-ethyl-N-[1-(hydroxymethyl)cyclobutyl]carbamate
CID 171784493
ethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 67155525
1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,2-dimethylcyclopentane-1-carboxylic acid
CID 79857394
3-ethyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid
CID 64514983
tert-butyl N-[(1S)-1-butyl-2-hydroxycyclopropyl]-N-ethylcarbamate
CID 165095069
4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-methylazepane-4-carboxylic acid
CID 65074907
tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766
1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxycyclopentane-1-carboxylic acid
CID 69042568
1-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]cyclopropane-1-carboxylic acid
CID 103439539
1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,4-dimethylcyclohexane-1-carboxylic acid
CID 64753944
4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylpiperidine-4-carboxylic acid
CID 114500631
tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
CID 66660873

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-aminoethyl)cyclopropyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[1-(2-aminoethyl)cyclopropyl]-N-ethylcarbamate (CID 84692072) is tert-butyl N-[1-(2-aminoethyl)cyclopropyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(2-aminoethyl)cyclopropyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[1-(2-aminoethyl)cyclopropyl]-N-ethylcarbamate is CCN(C(=O)OC(C)(C)C)C1(CCN)CC1.
What is the InChIKey of tert-butyl N-[1-(2-aminoethyl)cyclopropyl]-N-ethylcarbamate?
The InChIKey is DEIWNTZVYLMQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-14(10(15)16-11(2,3)4)12(6-7-12)8-9-13/h5-9,13H2,1-4H3.
What are the key properties of tert-butyl N-[1-(2-aminoethyl)cyclopropyl]-N-ethylcarbamate?
tert-butyl N-[1-(2-aminoethyl)cyclopropyl]-N-ethylcarbamate has a molecular weight of 228.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-aminoethyl)cyclopropyl]-N-ethylcarbamate is sourced from PubChem (CID 84692072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).