tert-butyl N-ethyl-N-[2-(1-ethyl-4-methylcyclohexyl)ethyl]carbamate

C18H35NO2 — CID 91163380

IUPACtert-butyl N-ethyl-N-[2-(1-ethyl-4-methylcyclohexyl)ethyl]carbamate
SMILESCCN(CCC1(CC)CCC(C)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H35NO2/c1-7-18(11-9-15(3)10-12-18)13-14-19(8-2)16(20)21-17(4,5)6/h15H,7-14H2,1-6H3
InChIKeyHBPQHOKGPULCCW-UHFFFAOYSA-N
MW297.48 g/mol
LogP5.24
Rot. Bonds5

About tert-butyl N-ethyl-N-[2-(1-ethyl-4-methylcyclohexyl)ethyl]carbamate

tert-butyl N-ethyl-N-[2-(1-ethyl-4-methylcyclohexyl)ethyl]carbamate (PubChem CID 91163380) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[2-(1-ethyl-4-methylcyclohexyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[2-(1-ethyl-4-methylcyclohexyl)ethyl]carbamate
PubChem CID91163380
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Nametert-butyl N-ethyl-N-[2-(1-ethyl-4-methylcyclohexyl)ethyl]carbamate
SMILESCCN(CCC1(CC)CCC(C)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H35NO2/c1-7-18(11-9-15(3)10-12-18)13-14-19(8-2)16(20)21-17(4,5)6/h15H,7-14H2,1-6H3
InChIKeyHBPQHOKGPULCCW-UHFFFAOYSA-N
XLogP5.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.48
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tert-butyl 9-(aminomethyl)-3-azaspiro(5.5)undecane-3-carboxylate
CID 53396509
Tert-butyl 4-(3-methylpentyl)piperidine-1-carboxylate
CID 102528803
Tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate
CID 60088663
Tert-butyl 4-cyclohexyl-4-(3-fluoro-3-methylbutyl)piperidine-1-carboxylate
CID 58602453
Tert-butyl 4-cyclohexyl-4-[2-(1-fluorocyclopropyl)ethyl]piperidine-1-carboxylate
CID 58602478
Tert-butyl 9-(fluoromethyl)-3-azaspiro[5.5]undecane-3-carboxylate
CID 172325499
N-(2-cyclohexylethyl)-N-ethylcarbamic acid 1,1-dimethylethyl ester
CID 132938772
tert-butyl (2S)-2-(cyclohexylmethyl)azepane-1-carboxylate
CID 162403109
Tert-butyl 2-(cyclohexylmethyl)azepane-1-carboxylate
CID 162408383
N-(2-cyclohexylethyl)-N-(1-methylethyl)carbamic acid 1,1-dimethylethyl ester
CID 164666225
N-(2-cyclohexylethyl)-N-(1,1-dimethylethyl)carbamic acid 1,1-dimethylethyl ester
CID 164666830
Tert-butyl 4-(aminomethyl)-4-cyclohexylpiperidine-1-carboxylate
CID 18318102

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[2-(1-ethyl-4-methylcyclohexyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[2-(1-ethyl-4-methylcyclohexyl)ethyl]carbamate (CID 91163380) is tert-butyl N-ethyl-N-[2-(1-ethyl-4-methylcyclohexyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[2-(1-ethyl-4-methylcyclohexyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[2-(1-ethyl-4-methylcyclohexyl)ethyl]carbamate is CCN(CCC1(CC)CCC(C)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[2-(1-ethyl-4-methylcyclohexyl)ethyl]carbamate?
The InChIKey is HBPQHOKGPULCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-7-18(11-9-15(3)10-12-18)13-14-19(8-2)16(20)21-17(4,5)6/h15H,7-14H2,1-6H3.
What are the key properties of tert-butyl N-ethyl-N-[2-(1-ethyl-4-methylcyclohexyl)ethyl]carbamate?
tert-butyl N-ethyl-N-[2-(1-ethyl-4-methylcyclohexyl)ethyl]carbamate has a molecular weight of 297.48 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[2-(1-ethyl-4-methylcyclohexyl)ethyl]carbamate is sourced from PubChem (CID 91163380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).