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

C15H30N2O2 — CID 103698952

IUPACtert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
SMILESCC1CCC(NCCN(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-12-6-8-13(9-7-12)16-10-11-17(5)14(18)19-15(2,3)4/h12-13,16H,6-11H2,1-5H3
InChIKeySKXISEXOFHYEGY-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.02
Rot. Bonds4

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

tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate (PubChem CID 103698952) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
PubChem CID103698952
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
SMILESCC1CCC(NCCN(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-12-6-8-13(9-7-12)16-10-11-17(5)14(18)19-15(2,3)4/h12-13,16H,6-11H2,1-5H3
InChIKeySKXISEXOFHYEGY-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-methyl-N-[2-[(3-methylcyclopentyl)amino]ethyl]carbamate
CID 103698942
tert-butyl N-methyl-N-[3-[(4-methylcyclohexyl)amino]propyl]carbamate
CID 103699070
tert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate
CID 103698950
tert-butyl N-methyl-N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate
CID 103699060
tert-butyl N-methyl-N-[2-[[N'-methyl-N-(4-methylcyclohexyl)carbamimidoyl]amino]ethyl]carbamate
CID 111256095
tert-butyl N-methyl-N-[2-methyl-3-[(4-methylcyclohexyl)amino]propyl]carbamate
CID 103699401
tert-butyl N-methyl-N-[2-(pyrrolidin-3-ylamino)ethyl]carbamate
CID 107245215
tert-butyl N-methyl-N-[2-[(2-methyloxan-4-yl)amino]ethyl]carbamate
CID 103910604
tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]ethyl]-N-methylcarbamate
CID 103921208
tert-butyl N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103653351
tert-butyl 3-[(4-methylcyclohexyl)amino]propanoate
CID 103268828
tert-butyl N-methyl-N-[2-[(2-propyloxan-4-yl)amino]ethyl]carbamate
CID 103991105

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate (CID 103698952) is tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate is CC1CCC(NCCN(C)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate?
The InChIKey is SKXISEXOFHYEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12-6-8-13(9-7-12)16-10-11-17(5)14(18)19-15(2,3)4/h12-13,16H,6-11H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate has a molecular weight of 270.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate is sourced from PubChem (CID 103698952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).