tert-butyl N-[(E)-3-aminopent-2-enyl]-N-butylcarbamate

C14H28N2O2 — CID 160510338

IUPACtert-butyl N-[(E)-3-aminopent-2-enyl]-N-butylcarbamate
SMILESCCCCN(C/C=C(/N)CC)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-6-8-10-16(11-9-12(15)7-2)13(17)18-14(3,4)5/h9H,6-8,10-11,15H2,1-5H3/b12-9+
InChIKeyQSYRYLLGMLINLH-FMIVXFBMSA-N
MW256.39 g/mol
LogP3.28
Rot. Bonds6

About tert-butyl N-[(E)-3-aminopent-2-enyl]-N-butylcarbamate

tert-butyl N-[(E)-3-aminopent-2-enyl]-N-butylcarbamate (PubChem CID 160510338) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl N-[(E)-3-aminopent-2-enyl]-N-butylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-3-aminopent-2-enyl]-N-butylcarbamate
PubChem CID160510338
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl N-[(E)-3-aminopent-2-enyl]-N-butylcarbamate
SMILESCCCCN(C/C=C(/N)CC)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-6-8-10-16(11-9-12(15)7-2)13(17)18-14(3,4)5/h9H,6-8,10-11,15H2,1-5H3/b12-9+
InChIKeyQSYRYLLGMLINLH-FMIVXFBMSA-N
XLogP3.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl 4-(1-amino-1-fluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
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tert-butyl 6-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate
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tert-Butyl 4-(pyrrolidin-1-yl)-5,6-dihydropyridine-1(2H)-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-3-aminopent-2-enyl]-N-butylcarbamate?
The IUPAC name of tert-butyl N-[(E)-3-aminopent-2-enyl]-N-butylcarbamate (CID 160510338) is tert-butyl N-[(E)-3-aminopent-2-enyl]-N-butylcarbamate.
What is the SMILES notation for tert-butyl N-[(E)-3-aminopent-2-enyl]-N-butylcarbamate?
The canonical SMILES for tert-butyl N-[(E)-3-aminopent-2-enyl]-N-butylcarbamate is CCCCN(C/C=C(/N)CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-3-aminopent-2-enyl]-N-butylcarbamate?
The InChIKey is QSYRYLLGMLINLH-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-8-10-16(11-9-12(15)7-2)13(17)18-14(3,4)5/h9H,6-8,10-11,15H2,1-5H3/b12-9+.
What are the key properties of tert-butyl N-[(E)-3-aminopent-2-enyl]-N-butylcarbamate?
tert-butyl N-[(E)-3-aminopent-2-enyl]-N-butylcarbamate has a molecular weight of 256.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-3-aminopent-2-enyl]-N-butylcarbamate is sourced from PubChem (CID 160510338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).