methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

C20H31N2O+ — CID 8552327

IUPACmethyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESC[C@@H]1CCCC[C@H]1NC(=O)C[NH+](C)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C20H30N2O/c1-15-8-3-6-12-18(15)21-20(23)14-22(2)19-13-7-10-16-9-4-5-11-17(16)19/h4-5,9,11,15,18-19H,3,6-8,10,12-14H2,1-2H3,(H,21,23)/p+1/t15-,18-,19-/m1/s1
InChIKeyMMDIKWZEPCJUPQ-ATZDWAIDSA-O
MW315.48 g/mol
LogP2.27
Rot. Bonds4

About methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (PubChem CID 8552327) has the molecular formula C20H31N2O+ and a molecular weight of 315.48 g/mol. Its IUPAC name is methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.

Molecular Properties

Compound Namemethyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
PubChem CID8552327
Molecular FormulaC20H31N2O+
Molecular Weight315.48 g/mol
Exact Mass315.24
IUPAC Namemethyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESC[C@@H]1CCCC[C@H]1NC(=O)C[NH+](C)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C20H30N2O/c1-15-8-3-6-12-18(15)21-20(23)14-22(2)19-13-7-10-16-9-4-5-11-17(16)19/h4-5,9,11,15,18-19H,3,6-8,10,12-14H2,1-2H3,(H,21,23)/p+1/t15-,18-,19-/m1/s1
InChIKeyMMDIKWZEPCJUPQ-ATZDWAIDSA-O
XLogP2.27
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium with MolForge

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Related Compounds

methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 8681204
methyl-[2-(2-methylanilino)-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260623
[2-(2-bromoanilino)-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9261107
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260307
methyl-[2-(3-methylanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260580
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 8681305
methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 8680865
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9117109
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260498
(2-fluorophenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8709235
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9049425
methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260898

Frequently Asked Questions

What is the IUPAC name of methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The IUPAC name of methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (CID 8552327) is methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.
What is the SMILES notation for methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The canonical SMILES for methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is C[C@@H]1CCCC[C@H]1NC(=O)C[NH+](C)[C@@H]1CCCc2ccccc21.
What is the InChIKey of methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The InChIKey is MMDIKWZEPCJUPQ-ATZDWAIDSA-O. The full InChI is InChI=1S/C20H30N2O/c1-15-8-3-6-12-18(15)21-20(23)14-22(2)19-13-7-10-16-9-4-5-11-17(16)19/h4-5,9,11,15,18-19H,3,6-8,10,12-14H2,1-2H3,(H,21,23)/p+1/t15-,18-,19-/m1/s1.
What are the key properties of methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium has a molecular weight of 315.48 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is sourced from PubChem (CID 8552327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).