tert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate

C13H26N2O2 — CID 90065651

IUPACtert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate
SMILESCC1(C)CCC(NNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-14-10-6-8-13(4,5)9-7-10/h10,14H,6-9H2,1-5H3,(H,15,16)
InChIKeyIOKXGCLPYTUIMQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.98
Rot. Bonds2

About tert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate

tert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate (PubChem CID 90065651) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate
PubChem CID90065651
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate
SMILESCC1(C)CCC(NNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-14-10-6-8-13(4,5)9-7-10/h10,14H,6-9H2,1-5H3,(H,15,16)
InChIKeyIOKXGCLPYTUIMQ-UHFFFAOYSA-N
XLogP2.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(cyclododecylamino)carbamate
CID 107236860
tert-butyl N-[[(1S,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]carbamate
CID 98052999
tert-butyl N-[[(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]carbamate
CID 118227156
tert-butyl N-[(5,5-dimethylthian-3-yl)amino]carbamate
CID 107237157
tert-butyl N-[(1-carbamoylpiperidin-4-yl)amino]carbamate
CID 107237122
[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174659378
tert-butyl N-[4-[(3,3-dimethylcyclopentyl)amino]cyclohexyl]carbamate
CID 103949188
tert-butyl N-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]carbamate
CID 107237375
tert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate
CID 71023711
2-[1-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetic acid
CID 86722962
ethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclohexane-1-carboxylate
CID 107236708
tert-butyl 3-[(4,4-dimethylcyclohexyl)amino]propanoate
CID 113243262

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate?
The IUPAC name of tert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate (CID 90065651) is tert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate is CC1(C)CCC(NNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate?
The InChIKey is IOKXGCLPYTUIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-14-10-6-8-13(4,5)9-7-10/h10,14H,6-9H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate?
tert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate is sourced from PubChem (CID 90065651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).