tert-butyl N-[1-cyclohexyl-2-(methylamino)prop-2-enyl]carbamate

C15H28N2O2 — CID 142933904

IUPACtert-butyl N-[1-cyclohexyl-2-(methylamino)prop-2-enyl]carbamate
SMILESC=C(NC)C(NC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H28N2O2/c1-11(16-5)13(12-9-7-6-8-10-12)17-14(18)19-15(2,3)4/h12-13,16H,1,6-10H2,2-5H3,(H,17,18)
InChIKeyGPCCPJZUYXHGKM-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.19
Rot. Bonds4

About tert-butyl N-[1-cyclohexyl-2-(methylamino)prop-2-enyl]carbamate

tert-butyl N-[1-cyclohexyl-2-(methylamino)prop-2-enyl]carbamate (PubChem CID 142933904) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl N-[1-cyclohexyl-2-(methylamino)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-cyclohexyl-2-(methylamino)prop-2-enyl]carbamate
PubChem CID142933904
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl N-[1-cyclohexyl-2-(methylamino)prop-2-enyl]carbamate
SMILESC=C(NC)C(NC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H28N2O2/c1-11(16-5)13(12-9-7-6-8-10-12)17-14(18)19-15(2,3)4/h12-13,16H,1,6-10H2,2-5H3,(H,17,18)
InChIKeyGPCCPJZUYXHGKM-UHFFFAOYSA-N
XLogP3.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
CID 75423323
cesium;carbanide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 156707801
tert-butyl N-[(1S)-1-cyclopentyl-2-fluoro-2-oxoethyl]carbamate
CID 87401436
tert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
CID 62666468
tert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate
CID 130156540
N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 66756723
chloromethyl 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 165440604
tert-butyl N-[1-cyclobutyl-2-(2-methylhydrazinyl)-2-oxoethyl]carbamate
CID 116849479
(2S)-1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]azetidine-2-carboxylic acid
CID 175131953
tert-butyl N-[1-cyclohexyl-2-[ethyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate
CID 176580768
(2S)-1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylic acid
CID 166747936
tert-butyl N-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-methylbutan-2-yl]carbamate
CID 102037529

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-cyclohexyl-2-(methylamino)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[1-cyclohexyl-2-(methylamino)prop-2-enyl]carbamate (CID 142933904) is tert-butyl N-[1-cyclohexyl-2-(methylamino)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-cyclohexyl-2-(methylamino)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[1-cyclohexyl-2-(methylamino)prop-2-enyl]carbamate is C=C(NC)C(NC(=O)OC(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl N-[1-cyclohexyl-2-(methylamino)prop-2-enyl]carbamate?
The InChIKey is GPCCPJZUYXHGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(16-5)13(12-9-7-6-8-10-12)17-14(18)19-15(2,3)4/h12-13,16H,1,6-10H2,2-5H3,(H,17,18).
What are the key properties of tert-butyl N-[1-cyclohexyl-2-(methylamino)prop-2-enyl]carbamate?
tert-butyl N-[1-cyclohexyl-2-(methylamino)prop-2-enyl]carbamate has a molecular weight of 268.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-cyclohexyl-2-(methylamino)prop-2-enyl]carbamate is sourced from PubChem (CID 142933904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).