methyl 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate

C16H23NO2 — CID 116955498

IUPACmethyl 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
SMILESCNC(CCC(=O)OC)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H23NO2/c1-17-15(9-10-16(18)19-2)14-8-7-12-5-3-4-6-13(12)11-14/h7-8,11,15,17H,3-6,9-10H2,1-2H3
InChIKeyZFOCPJRXDWEUQJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.78
Rot. Bonds5

About methyl 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate

methyl 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate (PubChem CID 116955498) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
PubChem CID116955498
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
SMILESCNC(CCC(=O)OC)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H23NO2/c1-17-15(9-10-16(18)19-2)14-8-7-12-5-3-4-6-13(12)11-14/h7-8,11,15,17H,3-6,9-10H2,1-2H3
InChIKeyZFOCPJRXDWEUQJ-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(methylamino)-5-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate
CID 82347867
4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
CID 116952908
3-cyclopentyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 43480658
N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 116949253
methyl 4-(methylamino)-4-(3-methylphenyl)butanoate
CID 116955565
4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile
CID 116955267
1-O-methyl 4-O-(5,6,7,8-tetrahydronaphthalen-2-yl) butanedioate
CID 94274501
methyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate
CID 116955534
1-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-N-methylbutan-1-amine
CID 114194469
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289
2-(methylamino)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 116961596

Frequently Asked Questions

What is the IUPAC name of methyl 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate?
The IUPAC name of methyl 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate (CID 116955498) is methyl 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate.
What is the SMILES notation for methyl 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate?
The canonical SMILES for methyl 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate is CNC(CCC(=O)OC)c1ccc2c(c1)CCCC2.
What is the InChIKey of methyl 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate?
The InChIKey is ZFOCPJRXDWEUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17-15(9-10-16(18)19-2)14-8-7-12-5-3-4-6-13(12)11-14/h7-8,11,15,17H,3-6,9-10H2,1-2H3.
What are the key properties of methyl 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate?
methyl 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate has a molecular weight of 261.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate is sourced from PubChem (CID 116955498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).