tert-butyl N-(2-aminoethyl)-N-[[(E)-3,3-dimethylbut-1-enyl]carbamoyl]carbamate

C14H27N3O3 — CID 108911610

IUPACtert-butyl N-(2-aminoethyl)-N-[[(E)-3,3-dimethylbut-1-enyl]carbamoyl]carbamate
SMILESCC(C)(C)/C=C/NC(=O)N(CCN)C(=O)OC(C)(C)C
InChIInChI=1S/C14H27N3O3/c1-13(2,3)7-9-16-11(18)17(10-8-15)12(19)20-14(4,5)6/h7,9H,8,10,15H2,1-6H3,(H,16,18)/b9-7+
InChIKeyWHWUWKJQCVDNHO-VQHVLOKHSA-N
MW285.39 g/mol
LogP2.45
Rot. Bonds3

About tert-butyl N-(2-aminoethyl)-N-[[(E)-3,3-dimethylbut-1-enyl]carbamoyl]carbamate

tert-butyl N-(2-aminoethyl)-N-[[(E)-3,3-dimethylbut-1-enyl]carbamoyl]carbamate (PubChem CID 108911610) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl N-(2-aminoethyl)-N-[[(E)-3,3-dimethylbut-1-enyl]carbamoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-aminoethyl)-N-[[(E)-3,3-dimethylbut-1-enyl]carbamoyl]carbamate
PubChem CID108911610
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nametert-butyl N-(2-aminoethyl)-N-[[(E)-3,3-dimethylbut-1-enyl]carbamoyl]carbamate
SMILESCC(C)(C)/C=C/NC(=O)N(CCN)C(=O)OC(C)(C)C
InChIInChI=1S/C14H27N3O3/c1-13(2,3)7-9-16-11(18)17(10-8-15)12(19)20-14(4,5)6/h7,9H,8,10,15H2,1-6H3,(H,16,18)/b9-7+
InChIKeyWHWUWKJQCVDNHO-VQHVLOKHSA-N
XLogP2.45
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminoethyl)-N-[[(E)-3,3-dimethylbut-1-enyl]carbamoyl]carbamate?
The IUPAC name of tert-butyl N-(2-aminoethyl)-N-[[(E)-3,3-dimethylbut-1-enyl]carbamoyl]carbamate (CID 108911610) is tert-butyl N-(2-aminoethyl)-N-[[(E)-3,3-dimethylbut-1-enyl]carbamoyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-aminoethyl)-N-[[(E)-3,3-dimethylbut-1-enyl]carbamoyl]carbamate?
The canonical SMILES for tert-butyl N-(2-aminoethyl)-N-[[(E)-3,3-dimethylbut-1-enyl]carbamoyl]carbamate is CC(C)(C)/C=C/NC(=O)N(CCN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-aminoethyl)-N-[[(E)-3,3-dimethylbut-1-enyl]carbamoyl]carbamate?
The InChIKey is WHWUWKJQCVDNHO-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-13(2,3)7-9-16-11(18)17(10-8-15)12(19)20-14(4,5)6/h7,9H,8,10,15H2,1-6H3,(H,16,18)/b9-7+.
What are the key properties of tert-butyl N-(2-aminoethyl)-N-[[(E)-3,3-dimethylbut-1-enyl]carbamoyl]carbamate?
tert-butyl N-(2-aminoethyl)-N-[[(E)-3,3-dimethylbut-1-enyl]carbamoyl]carbamate has a molecular weight of 285.39 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-aminoethyl)-N-[[(E)-3,3-dimethylbut-1-enyl]carbamoyl]carbamate is sourced from PubChem (CID 108911610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).