cyclohexa-1,5-dien-1-ylmethyl 4-amino-2,2,3,3-tetramethylbutanoate

C15H25NO2 — CID 142457192

IUPACcyclohexa-1,5-dien-1-ylmethyl 4-amino-2,2,3,3-tetramethylbutanoate
SMILESCC(C)(CN)C(C)(C)C(=O)OCC1=CCCC=C1
InChIInChI=1S/C15H25NO2/c1-14(2,11-16)15(3,4)13(17)18-10-12-8-6-5-7-9-12/h6,8-9H,5,7,10-11,16H2,1-4H3
InChIKeyZMJMJMMJFZYVTH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.82
Rot. Bonds5

About cyclohexa-1,5-dien-1-ylmethyl 4-amino-2,2,3,3-tetramethylbutanoate

cyclohexa-1,5-dien-1-ylmethyl 4-amino-2,2,3,3-tetramethylbutanoate (PubChem CID 142457192) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-ylmethyl 4-amino-2,2,3,3-tetramethylbutanoate.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-ylmethyl 4-amino-2,2,3,3-tetramethylbutanoate
PubChem CID142457192
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Namecyclohexa-1,5-dien-1-ylmethyl 4-amino-2,2,3,3-tetramethylbutanoate
SMILESCC(C)(CN)C(C)(C)C(=O)OCC1=CCCC=C1
InChIInChI=1S/C15H25NO2/c1-14(2,11-16)15(3,4)13(17)18-10-12-8-6-5-7-9-12/h6,8-9H,5,7,10-11,16H2,1-4H3
InChIKeyZMJMJMMJFZYVTH-UHFFFAOYSA-N
XLogP2.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexa-1,5-dien-1-ylethyl 2,2-dimethylpropanoate
CID 91165512
cyclohexa-1,5-dien-1-ylmethyl (2S)-2-(methylamino)-4-oxopentanoate
CID 145192095
cyclohexa-1,5-dien-1-ylmethyl N-(2-methylpropyl)carbamate
CID 155132308
cyclohexa-1,5-dien-1-ylmethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate
CID 143746438
2-[5-(cyclohexa-1,5-dien-1-ylmethoxy)-2,5-dimethylhexan-2-yl]oxyethanamine
CID 143702950
cyclohexa-1,5-dien-1-ylmethyl methanesulfonate
CID 163680872
1-cyclohexa-1,5-dien-1-yl-3,3-dimethylpentan-2-one
CID 146396401
cyclohepta-1,6-dien-1-ylmethyl (2S)-2-aminopropanoate
CID 172578392
cyclohexa-1,5-dien-1-ylmethyl 5-methylpiperidine-2-carboxylate
CID 145375430
cyclohexa-1,5-dien-1-ylmethyl acetate;1,3-oxazolidin-2-one
CID 163245221
2-(cyclohexa-1,5-dien-1-ylmethoxycarbonylamino)butanedioic acid
CID 22094676
tert-butyl N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylcarbamate
CID 10775467

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-ylmethyl 4-amino-2,2,3,3-tetramethylbutanoate?
The IUPAC name of cyclohexa-1,5-dien-1-ylmethyl 4-amino-2,2,3,3-tetramethylbutanoate (CID 142457192) is cyclohexa-1,5-dien-1-ylmethyl 4-amino-2,2,3,3-tetramethylbutanoate.
What is the SMILES notation for cyclohexa-1,5-dien-1-ylmethyl 4-amino-2,2,3,3-tetramethylbutanoate?
The canonical SMILES for cyclohexa-1,5-dien-1-ylmethyl 4-amino-2,2,3,3-tetramethylbutanoate is CC(C)(CN)C(C)(C)C(=O)OCC1=CCCC=C1.
What is the InChIKey of cyclohexa-1,5-dien-1-ylmethyl 4-amino-2,2,3,3-tetramethylbutanoate?
The InChIKey is ZMJMJMMJFZYVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-14(2,11-16)15(3,4)13(17)18-10-12-8-6-5-7-9-12/h6,8-9H,5,7,10-11,16H2,1-4H3.
What are the key properties of cyclohexa-1,5-dien-1-ylmethyl 4-amino-2,2,3,3-tetramethylbutanoate?
cyclohexa-1,5-dien-1-ylmethyl 4-amino-2,2,3,3-tetramethylbutanoate has a molecular weight of 251.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-ylmethyl 4-amino-2,2,3,3-tetramethylbutanoate is sourced from PubChem (CID 142457192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).