tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate

C13H26N2O2 — CID 72544342

IUPACtert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
SMILESCCN[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-5-14-10-7-6-8-11(9-10)15-12(16)17-13(2,3)4/h10-11,14H,5-9H2,1-4H3,(H,15,16)/t10-,11+/m1/s1
InChIKeyHVAZQPNRVFYZCT-MNOVXSKESA-N
MW242.36 g/mol
LogP2.43
Rot. Bonds3

About tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate

tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate (PubChem CID 72544342) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
PubChem CID72544342
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
SMILESCCN[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-5-14-10-7-6-8-11(9-10)15-12(16)17-13(2,3)4/h10-11,14H,5-9H2,1-4H3,(H,15,16)/t10-,11+/m1/s1
InChIKeyHVAZQPNRVFYZCT-MNOVXSKESA-N
XLogP2.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate
CID 79458834
tert-butyl N-[3-[[2-(methylamino)-2-oxoethyl]amino]cyclohexyl]carbamate
CID 79459021
methyl 3-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]propanoate
CID 79462183
tert-butyl N-[5-(ethylamino)oxan-3-yl]carbamate
CID 135171048
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[3-(2-cyanoethylamino)cyclohexyl]carbamate
CID 79458920
tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
CID 99581442
tert-butyl N-[[(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]carbamate
CID 118227156
tert-butyl N-[3-[(2-hydroxy-4,4-dimethylpentyl)amino]cyclohexyl]carbamate
CID 107151492
tert-butyl N-[3-[(3-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate
CID 106120887
tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate
CID 79461727

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate (CID 72544342) is tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate is CCN[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate?
The InChIKey is HVAZQPNRVFYZCT-MNOVXSKESA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-14-10-7-6-8-11(9-10)15-12(16)17-13(2,3)4/h10-11,14H,5-9H2,1-4H3,(H,15,16)/t10-,11+/m1/s1.
What are the key properties of tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate?
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate is sourced from PubChem (CID 72544342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).