tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate

C19H36N2O2 — CID 103791676

IUPACtert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate
SMILESC[C@H](NC1CCCC(NC(=O)OC(C)(C)C)C1)C1CCCCC1
InChIInChI=1S/C19H36N2O2/c1-14(15-9-6-5-7-10-15)20-16-11-8-12-17(13-16)21-18(22)23-19(2,3)4/h14-17,20H,5-13H2,1-4H3,(H,21,22)/t14-,16?,17?/m0/s1
InChIKeyLMLNWBGLPIKWME-OOHWJJMZSA-N
MW324.51 g/mol
LogP4.38
Rot. Bonds4

About tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate

tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate (PubChem CID 103791676) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate
PubChem CID103791676
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Nametert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate
SMILESC[C@H](NC1CCCC(NC(=O)OC(C)(C)C)C1)C1CCCCC1
InChIInChI=1S/C19H36N2O2/c1-14(15-9-6-5-7-10-15)20-16-11-8-12-17(13-16)21-18(22)23-19(2,3)4/h14-17,20H,5-13H2,1-4H3,(H,21,22)/t14-,16?,17?/m0/s1
InChIKeyLMLNWBGLPIKWME-OOHWJJMZSA-N
XLogP4.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate
CID 80560825
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
CID 99581442
tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
CID 79461407
tert-butyl N-[2-(1-cyclopropylethylamino)cycloheptyl]carbamate
CID 103082516
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclohexyl]carbamate
CID 103720166
tert-butyl N-[3-[1-(diethylamino)propan-2-ylamino]cyclohexyl]carbamate
CID 103720194
tert-butyl N-[[(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]carbamate
CID 118227156
tert-butyl N-[3-(4-methylsulfinylbutan-2-ylamino)cyclohexyl]carbamate
CID 104866904
tert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate
CID 113263051
tert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate
CID 129446084

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate (CID 103791676) is tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate is C[C@H](NC1CCCC(NC(=O)OC(C)(C)C)C1)C1CCCCC1.
What is the InChIKey of tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate?
The InChIKey is LMLNWBGLPIKWME-OOHWJJMZSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-14(15-9-6-5-7-10-15)20-16-11-8-12-17(13-16)21-18(22)23-19(2,3)4/h14-17,20H,5-13H2,1-4H3,(H,21,22)/t14-,16?,17?/m0/s1.
What are the key properties of tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate?
tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate has a molecular weight of 324.51 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate is sourced from PubChem (CID 103791676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).