tert-butyl N-[(Z)-2-(dimethylamino)pent-2-enyl]carbamate

C12H24N2O2 — CID 139576224

IUPACtert-butyl N-[(Z)-2-(dimethylamino)pent-2-enyl]carbamate
SMILESCC/C=C(/CNC(=O)OC(C)(C)C)N(C)C
InChIInChI=1S/C12H24N2O2/c1-7-8-10(14(5)6)9-13-11(15)16-12(2,3)4/h8H,7,9H2,1-6H3,(H,13,15)/b10-8-
InChIKeyXLNBHNPDMNIYBM-NTMALXAHSA-N
MW228.34 g/mol
LogP2.37
Rot. Bonds4

About tert-butyl N-[(Z)-2-(dimethylamino)pent-2-enyl]carbamate

tert-butyl N-[(Z)-2-(dimethylamino)pent-2-enyl]carbamate (PubChem CID 139576224) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-[(Z)-2-(dimethylamino)pent-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-2-(dimethylamino)pent-2-enyl]carbamate
PubChem CID139576224
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-[(Z)-2-(dimethylamino)pent-2-enyl]carbamate
SMILESCC/C=C(/CNC(=O)OC(C)(C)C)N(C)C
InChIInChI=1S/C12H24N2O2/c1-7-8-10(14(5)6)9-13-11(15)16-12(2,3)4/h8H,7,9H2,1-6H3,(H,13,15)/b10-8-
InChIKeyXLNBHNPDMNIYBM-NTMALXAHSA-N
XLogP2.37
TPSA41.57 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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
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tert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate
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tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
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tert-butyl N-[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]carbamate
CID 141407749
3-ethylpent-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11357744
cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 23698633
ethyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
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CID 58186857
CID 58186857
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-2-(dimethylamino)pent-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-2-(dimethylamino)pent-2-enyl]carbamate (CID 139576224) is tert-butyl N-[(Z)-2-(dimethylamino)pent-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-2-(dimethylamino)pent-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-2-(dimethylamino)pent-2-enyl]carbamate is CC/C=C(/CNC(=O)OC(C)(C)C)N(C)C.
What is the InChIKey of tert-butyl N-[(Z)-2-(dimethylamino)pent-2-enyl]carbamate?
The InChIKey is XLNBHNPDMNIYBM-NTMALXAHSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-7-8-10(14(5)6)9-13-11(15)16-12(2,3)4/h8H,7,9H2,1-6H3,(H,13,15)/b10-8-.
What are the key properties of tert-butyl N-[(Z)-2-(dimethylamino)pent-2-enyl]carbamate?
tert-butyl N-[(Z)-2-(dimethylamino)pent-2-enyl]carbamate has a molecular weight of 228.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-2-(dimethylamino)pent-2-enyl]carbamate is sourced from PubChem (CID 139576224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).