tert-butyl N-[4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]carbamate

C17H32N2O3 — CID 103949069

IUPACtert-butyl N-[4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]carbamate
SMILESC=C(C)COCCNC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H32N2O3/c1-13(2)12-21-11-10-18-14-6-8-15(9-7-14)19-16(20)22-17(3,4)5/h14-15,18H,1,6-12H2,2-5H3,(H,19,20)
InChIKeyNQXQJZHAPZQLIA-UHFFFAOYSA-N
MW312.45 g/mol
LogP3.00
Rot. Bonds7

About tert-butyl N-[4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]carbamate

tert-butyl N-[4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]carbamate (PubChem CID 103949069) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]carbamate
PubChem CID103949069
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl N-[4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]carbamate
SMILESC=C(C)COCCNC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H32N2O3/c1-13(2)12-21-11-10-18-14-6-8-15(9-7-14)19-16(20)22-17(3,4)5/h14-15,18H,1,6-12H2,2-5H3,(H,19,20)
InChIKeyNQXQJZHAPZQLIA-UHFFFAOYSA-N
XLogP3.00
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-(3-hydroxypropylamino)cyclohexyl]carbamate
CID 79113499
tert-butyl N-[4-(3-aminopropylamino)cyclohexyl]carbamate
CID 79113684
tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate
CID 103947988
tert-butyl N-[4-(hexylamino)cyclohexyl]carbamate
CID 79113104
tert-butyl N-[3-(2-cyclohexyloxyethylamino)cyclobutyl]carbamate
CID 103759643
tert-butyl N-[4-[2-[ethyl(methyl)amino]ethylamino]cyclohexyl]carbamate
CID 79114724
tert-butyl N-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate
CID 104759310
tert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate
CID 103720230
tert-butyl N-[3-(3-methylbut-3-enoyl)cyclobutyl]carbamate
CID 165467173
tert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate
CID 103948953
tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate
CID 115756939
tert-butyl N-[4-[2-(pyrrolidin-3-ylamino)ethoxy]cyclohexyl]carbamate
CID 107252441

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]carbamate (CID 103949069) is tert-butyl N-[4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]carbamate is C=C(C)COCCNC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]carbamate?
The InChIKey is NQXQJZHAPZQLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-13(2)12-21-11-10-18-14-6-8-15(9-7-14)19-16(20)22-17(3,4)5/h14-15,18H,1,6-12H2,2-5H3,(H,19,20).
What are the key properties of tert-butyl N-[4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]carbamate?
tert-butyl N-[4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]carbamate has a molecular weight of 312.45 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]carbamate is sourced from PubChem (CID 103949069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).