tert-butyl N-[2-(1-aminoethyl)-4-cyanophenyl]carbamate

C14H19N3O2 — CID 174337768

IUPACtert-butyl N-[2-(1-aminoethyl)-4-cyanophenyl]carbamate
SMILESCC(N)c1cc(C#N)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H19N3O2/c1-9(16)11-7-10(8-15)5-6-12(11)17-13(18)19-14(2,3)4/h5-7,9H,16H2,1-4H3,(H,17,18)
InChIKeyUDSDDCCGXSGRLK-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.92
Rot. Bonds2

About tert-butyl N-[2-(1-aminoethyl)-4-cyanophenyl]carbamate

tert-butyl N-[2-(1-aminoethyl)-4-cyanophenyl]carbamate (PubChem CID 174337768) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is tert-butyl N-[2-(1-aminoethyl)-4-cyanophenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-aminoethyl)-4-cyanophenyl]carbamate
PubChem CID174337768
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Nametert-butyl N-[2-(1-aminoethyl)-4-cyanophenyl]carbamate
SMILESCC(N)c1cc(C#N)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H19N3O2/c1-9(16)11-7-10(8-15)5-6-12(11)17-13(18)19-14(2,3)4/h5-7,9H,16H2,1-4H3,(H,17,18)
InChIKeyUDSDDCCGXSGRLK-UHFFFAOYSA-N
XLogP2.92
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-amino-5-cyanophenyl)carbamate
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[4-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]boronic acid
CID 142785533
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CID 168926547
tert-butyl N-[2-(2-bromo-4-cyanoanilino)propyl]carbamate
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propan-2-yl N-(2-amino-4-cyanophenyl)carbamate
CID 78965446
tert-butyl N-[5-(4-cyanobenzoyl)-2-fluorophenyl]carbamate
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tert-butyl N-[(1S)-1-(4-cyanophenyl)ethyl]carbamate
CID 59462304
tert-butyl N-[6-(5-cyano-3-pyridinyl)-2-methyl-3-pyridinyl]carbamate
CID 130471260
1-(4-cyano-2-pentan-2-ylphenyl)-3-methoxyurea
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3-[(1R)-1-aminoethyl]-4-hydroxybenzonitrile
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-aminoethyl)-4-cyanophenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-aminoethyl)-4-cyanophenyl]carbamate (CID 174337768) is tert-butyl N-[2-(1-aminoethyl)-4-cyanophenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-aminoethyl)-4-cyanophenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-aminoethyl)-4-cyanophenyl]carbamate is CC(N)c1cc(C#N)ccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(1-aminoethyl)-4-cyanophenyl]carbamate?
The InChIKey is UDSDDCCGXSGRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(16)11-7-10(8-15)5-6-12(11)17-13(18)19-14(2,3)4/h5-7,9H,16H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(1-aminoethyl)-4-cyanophenyl]carbamate?
tert-butyl N-[2-(1-aminoethyl)-4-cyanophenyl]carbamate has a molecular weight of 261.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-aminoethyl)-4-cyanophenyl]carbamate is sourced from PubChem (CID 174337768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).