tert-butyl N-[[2-(3-methylbut-2-enylamino)cyclohexyl]methyl]carbamate

C17H32N2O2 — CID 104926978

IUPACtert-butyl N-[[2-(3-methylbut-2-enylamino)cyclohexyl]methyl]carbamate
SMILESCC(C)=CCNC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O2/c1-13(2)10-11-18-15-9-7-6-8-14(15)12-19-16(20)21-17(3,4)5/h10,14-15,18H,6-9,11-12H2,1-5H3,(H,19,20)
InChIKeyLTGOPUCECDCEEJ-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.63
Rot. Bonds5

About tert-butyl N-[[2-(3-methylbut-2-enylamino)cyclohexyl]methyl]carbamate

tert-butyl N-[[2-(3-methylbut-2-enylamino)cyclohexyl]methyl]carbamate (PubChem CID 104926978) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl N-[[2-(3-methylbut-2-enylamino)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(3-methylbut-2-enylamino)cyclohexyl]methyl]carbamate
PubChem CID104926978
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl N-[[2-(3-methylbut-2-enylamino)cyclohexyl]methyl]carbamate
SMILESCC(C)=CCNC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O2/c1-13(2)10-11-18-15-9-7-6-8-14(15)12-19-16(20)21-17(3,4)5/h10,14-15,18H,6-9,11-12H2,1-5H3,(H,19,20)
InChIKeyLTGOPUCECDCEEJ-UHFFFAOYSA-N
XLogP3.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(E)-4-[[3-(trifluoromethyl)cyclohexyl]amino]but-2-enyl]carbamate
CID 107252772
tert-butyl N-[(E)-4-[[4-(trifluoromethyl)cyclohexyl]amino]but-2-enyl]carbamate
CID 107253195
tert-butyl N-[(E)-4-[[2-(trifluoromethyl)cyclohexyl]amino]but-2-enyl]carbamate
CID 107253259
Racemic-1,1-dimethylethyl ((1s,2s)-2-{[(2-methylpropyl)amino]methyl}cyclohexyl)carbamate
CID 58015323
tert-butyl N-[4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamate
CID 69178300
tert-butyl N-[2-[(2-methylpropylamino)methyl]cyclohexyl]carbamate;ethane
CID 143321325
tert-butyl N-[[2-(ethylamino)cyclohexyl]methyl]carbamate
CID 65827095
tert-butyl N-[[2-(2-cyclopropylethylamino)cyclohexyl]methyl]carbamate
CID 65838952
tert-butyl N-[[2-(pentylamino)cyclohexyl]methyl]carbamate
CID 65839078
tert-butyl N-[[2-(pentan-2-ylamino)cyclohexyl]methyl]carbamate
CID 65839479
tert-butyl N-[[2-(3-methylbutylamino)cyclohexyl]methyl]carbamate
CID 65839481
tert-butyl N-[[2-(3-aminopropylamino)cyclohexyl]methyl]carbamate
CID 65839526

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(3-methylbut-2-enylamino)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(3-methylbut-2-enylamino)cyclohexyl]methyl]carbamate (CID 104926978) is tert-butyl N-[[2-(3-methylbut-2-enylamino)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(3-methylbut-2-enylamino)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(3-methylbut-2-enylamino)cyclohexyl]methyl]carbamate is CC(C)=CCNC1CCCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-(3-methylbut-2-enylamino)cyclohexyl]methyl]carbamate?
The InChIKey is LTGOPUCECDCEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13(2)10-11-18-15-9-7-6-8-14(15)12-19-16(20)21-17(3,4)5/h10,14-15,18H,6-9,11-12H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[[2-(3-methylbut-2-enylamino)cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-(3-methylbut-2-enylamino)cyclohexyl]methyl]carbamate has a molecular weight of 296.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(3-methylbut-2-enylamino)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 104926978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).