tert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate

C16H32N2O2 — CID 103698950

IUPACtert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate
SMILESCN(CCNC1CCC(C)(C)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-15(2,3)20-14(19)18(6)12-11-17-13-7-9-16(4,5)10-8-13/h13,17H,7-12H2,1-6H3
InChIKeyROGYMLHDIKNYHB-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.41
Rot. Bonds4

About tert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate (PubChem CID 103698950) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate
PubChem CID103698950
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate
SMILESCN(CCNC1CCC(C)(C)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-15(2,3)20-14(19)18(6)12-11-17-13-7-9-16(4,5)10-8-13/h13,17H,7-12H2,1-6H3
InChIKeyROGYMLHDIKNYHB-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-tert-butyl-N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]carbamate
CID 107445694
tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103698952
tert-butyl N-methyl-N-[3-(spiro[4.5]decan-8-ylamino)propyl]carbamate
CID 107242237
tert-butyl N-methyl-N-[2-[(3-methylcyclopentyl)amino]ethyl]carbamate
CID 103698942
tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate
CID 107245215
tert-butyl N-[2-[(2-ethyl-2-methyloxan-4-yl)amino]ethyl]-N-methylcarbamate
CID 107244992
tert-butyl N-methyl-N-[3-[(4-methylcyclohexyl)amino]propyl]carbamate
CID 103699070
tert-butyl 3-[(4,4-dimethylcyclohexyl)amino]propanoate
CID 113243262
tert-butyl N-[3-[(4,4-dimethylcycloheptyl)amino]propyl]-N-ethylcarbamate
CID 107242640
tert-butyl N-methyl-N-[2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate
CID 107245182
tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]ethyl]-N-methylcarbamate
CID 103921208
tert-butyl N-methyl-N-[2-[(2-methyloxan-4-yl)amino]ethyl]carbamate
CID 103910604

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate (CID 103698950) is tert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate is CN(CCNC1CCC(C)(C)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate?
The InChIKey is ROGYMLHDIKNYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-15(2,3)20-14(19)18(6)12-11-17-13-7-9-16(4,5)10-8-13/h13,17H,7-12H2,1-6H3.
What are the key properties of tert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate has a molecular weight of 284.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 103698950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).