tert-butyl N-(2-aminoethyl)-N-phenylcarbamate;N'-phenylethane-1,2-diamine

C21H32N4O2 — CID 174804063

IUPACtert-butyl N-(2-aminoethyl)-N-phenylcarbamate;N'-phenylethane-1,2-diamine
SMILESCC(C)(C)OC(=O)N(CCN)c1ccccc1.NCCNc1ccccc1
InChIInChI=1S/C13H20N2O2.C8H12N2/c1-13(2,3)17-12(16)15(10-9-14)11-7-5-4-6-8-11;9-6-7-10-8-4-2-1-3-5-8/h4-8H,9-10,14H2,1-3H3;1-5,10H,6-7,9H2
InChIKeyVUGCZJFOIKYUAI-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.44
Rot. Bonds6

About tert-butyl N-(2-aminoethyl)-N-phenylcarbamate;N'-phenylethane-1,2-diamine

tert-butyl N-(2-aminoethyl)-N-phenylcarbamate;N'-phenylethane-1,2-diamine (PubChem CID 174804063) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is tert-butyl N-(2-aminoethyl)-N-phenylcarbamate;N'-phenylethane-1,2-diamine.

Molecular Properties

Compound Nametert-butyl N-(2-aminoethyl)-N-phenylcarbamate;N'-phenylethane-1,2-diamine
PubChem CID174804063
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Nametert-butyl N-(2-aminoethyl)-N-phenylcarbamate;N'-phenylethane-1,2-diamine
SMILESCC(C)(C)OC(=O)N(CCN)c1ccccc1.NCCNc1ccccc1
InChIInChI=1S/C13H20N2O2.C8H12N2/c1-13(2,3)17-12(16)15(10-9-14)11-7-5-4-6-8-11;9-6-7-10-8-4-2-1-3-5-8/h4-8H,9-10,14H2,1-3H3;1-5,10H,6-7,9H2
InChIKeyVUGCZJFOIKYUAI-UHFFFAOYSA-N
XLogP3.44
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(2-aminoethyl)-N-pyridin-3-ylcarbamate
CID 83717033
tert-butyl N-[2-(2,2,3,3,3-pentafluoropropoxycarbonylamino)ethyl]-N-phenylcarbamate
CID 54397769
tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate
CID 19019620
tert-butyl N-hexyl-N-phenylcarbamate
CID 135064745
tert-butyl N-octadecyl-N-phenylcarbamate
CID 174455229
methyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-phenylcarbamate
CID 155963850
tert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate
CID 83717032
ethane;N'-phenylethane-1,2-diamine
CID 91048519
tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate
CID 102052832
tert-butyl 2-[3-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propyl]-10-[(2-methylpropan-2-yl)oxycarbonyl-[2-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]ethylamino]amino]decanoate
CID 22366177
tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate
CID 143695884
tert-butyl N-[3,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylhydrazinyl]anilino]-N-phenylcarbamate
CID 102187327

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminoethyl)-N-phenylcarbamate;N'-phenylethane-1,2-diamine?
The IUPAC name of tert-butyl N-(2-aminoethyl)-N-phenylcarbamate;N'-phenylethane-1,2-diamine (CID 174804063) is tert-butyl N-(2-aminoethyl)-N-phenylcarbamate;N'-phenylethane-1,2-diamine.
What is the SMILES notation for tert-butyl N-(2-aminoethyl)-N-phenylcarbamate;N'-phenylethane-1,2-diamine?
The canonical SMILES for tert-butyl N-(2-aminoethyl)-N-phenylcarbamate;N'-phenylethane-1,2-diamine is CC(C)(C)OC(=O)N(CCN)c1ccccc1.NCCNc1ccccc1.
What is the InChIKey of tert-butyl N-(2-aminoethyl)-N-phenylcarbamate;N'-phenylethane-1,2-diamine?
The InChIKey is VUGCZJFOIKYUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.C8H12N2/c1-13(2,3)17-12(16)15(10-9-14)11-7-5-4-6-8-11;9-6-7-10-8-4-2-1-3-5-8/h4-8H,9-10,14H2,1-3H3;1-5,10H,6-7,9H2.
What are the key properties of tert-butyl N-(2-aminoethyl)-N-phenylcarbamate;N'-phenylethane-1,2-diamine?
tert-butyl N-(2-aminoethyl)-N-phenylcarbamate;N'-phenylethane-1,2-diamine has a molecular weight of 372.51 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-aminoethyl)-N-phenylcarbamate;N'-phenylethane-1,2-diamine is sourced from PubChem (CID 174804063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).