tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate

C12H24N2O2 — CID 163904666

IUPACtert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
SMILESCN[C@H]1CCCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-10-8-6-5-7-9(10)13-4/h9-10,13H,5-8H2,1-4H3,(H,14,15)/t9-,10?/m0/s1
InChIKeyQMXDBAIQSFJAPO-RGURZIINSA-N
MW228.34 g/mol
LogP2.04
Rot. Bonds2

About tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate

tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate (PubChem CID 163904666) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
PubChem CID163904666
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
SMILESCN[C@H]1CCCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-10-8-6-5-7-9(10)13-4/h9-10,13H,5-8H2,1-4H3,(H,14,15)/t9-,10?/m0/s1
InChIKeyQMXDBAIQSFJAPO-RGURZIINSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R,4E,8S)-8-(methylamino)cyclooct-4-en-1-yl]carbamate
CID 118458941
tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
CID 87320947
tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
CID 17039480
tert-butyl N-[(1S,2R)-2-formylcyclohexyl]carbamate;tert-butyl N-[(1R,2S)-2-formylcyclohexyl]carbamate
CID 102571710
tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate
CID 103082520
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid
CID 21251921
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate (CID 163904666) is tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate is CN[C@H]1CCCCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate?
The InChIKey is QMXDBAIQSFJAPO-RGURZIINSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-10-8-6-5-7-9(10)13-4/h9-10,13H,5-8H2,1-4H3,(H,14,15)/t9-,10?/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate?
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate has a molecular weight of 228.34 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate is sourced from PubChem (CID 163904666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).