tert-butyl N-(2-aminoethyl)-N-(2-methylcyclohexyl)carbamate

C14H28N2O2 — CID 50987788

IUPACtert-butyl N-(2-aminoethyl)-N-(2-methylcyclohexyl)carbamate
SMILESCC1CCCCC1N(CCN)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-11-7-5-6-8-12(11)16(10-9-15)13(17)18-14(2,3)4/h11-12H,5-10,15H2,1-4H3
InChIKeyBFFUWEUHWMUYSG-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.76
Rot. Bonds3

About tert-butyl N-(2-aminoethyl)-N-(2-methylcyclohexyl)carbamate

tert-butyl N-(2-aminoethyl)-N-(2-methylcyclohexyl)carbamate (PubChem CID 50987788) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl N-(2-aminoethyl)-N-(2-methylcyclohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-aminoethyl)-N-(2-methylcyclohexyl)carbamate
PubChem CID50987788
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl N-(2-aminoethyl)-N-(2-methylcyclohexyl)carbamate
SMILESCC1CCCCC1N(CCN)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-11-7-5-6-8-12(11)16(10-9-15)13(17)18-14(2,3)4/h11-12H,5-10,15H2,1-4H3
InChIKeyBFFUWEUHWMUYSG-UHFFFAOYSA-N
XLogP2.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate
CID 50986378
tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate
CID 50987781
ethyl 4-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
CID 124907567
tert-butyl 3-[methyl-(2-methylcyclohexyl)amino]propanoate
CID 115884818
2-[(2-methylcyclopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 91184991
tert-butyl N-[(1R,2S)-2-aminocyclohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 141045721
methyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67008317
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
tert-butyl N-[(1R,2R)-2-aminocyclohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 96845339
1-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid
CID 84812701
ethyl 3-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 22397343
1-ethyl-1-(2-methylcyclohexyl)urea
CID 174296150

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminoethyl)-N-(2-methylcyclohexyl)carbamate?
The IUPAC name of tert-butyl N-(2-aminoethyl)-N-(2-methylcyclohexyl)carbamate (CID 50987788) is tert-butyl N-(2-aminoethyl)-N-(2-methylcyclohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-aminoethyl)-N-(2-methylcyclohexyl)carbamate?
The canonical SMILES for tert-butyl N-(2-aminoethyl)-N-(2-methylcyclohexyl)carbamate is CC1CCCCC1N(CCN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-aminoethyl)-N-(2-methylcyclohexyl)carbamate?
The InChIKey is BFFUWEUHWMUYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11-7-5-6-8-12(11)16(10-9-15)13(17)18-14(2,3)4/h11-12H,5-10,15H2,1-4H3.
What are the key properties of tert-butyl N-(2-aminoethyl)-N-(2-methylcyclohexyl)carbamate?
tert-butyl N-(2-aminoethyl)-N-(2-methylcyclohexyl)carbamate has a molecular weight of 256.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-aminoethyl)-N-(2-methylcyclohexyl)carbamate is sourced from PubChem (CID 50987788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).