[2-(methylamino)cyclohexyl] N-benzylcarbamate

C15H22N2O2 — CID 107654729

IUPAC[2-(methylamino)cyclohexyl] N-benzylcarbamate
SMILESCNC1CCCCC1OC(=O)NCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-16-13-9-5-6-10-14(13)19-15(18)17-11-12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3,(H,17,18)
InChIKeyMVXJQKAJVYBLNQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.44
Rot. Bonds4

About [2-(methylamino)cyclohexyl] N-benzylcarbamate

[2-(methylamino)cyclohexyl] N-benzylcarbamate (PubChem CID 107654729) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [2-(methylamino)cyclohexyl] N-benzylcarbamate.

Molecular Properties

Compound Name[2-(methylamino)cyclohexyl] N-benzylcarbamate
PubChem CID107654729
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[2-(methylamino)cyclohexyl] N-benzylcarbamate
SMILESCNC1CCCCC1OC(=O)NCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-16-13-9-5-6-10-14(13)19-15(18)17-11-12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3,(H,17,18)
InChIKeyMVXJQKAJVYBLNQ-UHFFFAOYSA-N
XLogP2.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxycyclohexyl) N-benzylcarbamate
CID 174552580
(2-aminocyclohexyl) N-benzylcarbamate
CID 107654721
[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl] N-benzylcarbamate
CID 66880105
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate
CID 144638928
2-N-benzyl-1-N-methylcyclohexane-1,2-diamine
CID 149139761
trans-(1R,2R)-N-methyl-2-phenylmethoxycyclopentan-1-amine
CID 58216107
[4-(4-aminophenyl)-1-phenyl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-5-yl] N-benzylcarbamate
CID 122495789
[(2R)-8-oxo-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] N-benzylcarbamate
CID 53301160
[(3S,4S)-3-(hydroxymethyl)oxan-4-yl] N-benzylcarbamate
CID 70818689
[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl] N-benzylcarbamate
CID 175263184
[(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate
CID 174732822
N-benzylcyclopentanecarboxamide
CID 835634

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)cyclohexyl] N-benzylcarbamate?
The IUPAC name of [2-(methylamino)cyclohexyl] N-benzylcarbamate (CID 107654729) is [2-(methylamino)cyclohexyl] N-benzylcarbamate.
What is the SMILES notation for [2-(methylamino)cyclohexyl] N-benzylcarbamate?
The canonical SMILES for [2-(methylamino)cyclohexyl] N-benzylcarbamate is CNC1CCCCC1OC(=O)NCc1ccccc1.
What is the InChIKey of [2-(methylamino)cyclohexyl] N-benzylcarbamate?
The InChIKey is MVXJQKAJVYBLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16-13-9-5-6-10-14(13)19-15(18)17-11-12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3,(H,17,18).
What are the key properties of [2-(methylamino)cyclohexyl] N-benzylcarbamate?
[2-(methylamino)cyclohexyl] N-benzylcarbamate has a molecular weight of 262.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)cyclohexyl] N-benzylcarbamate is sourced from PubChem (CID 107654729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).